Diaminopyrimidine

Diaminopyrimidine

SCHEMBL4408151

Nc1ccnc(N)n1.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
GABRP O00591 2/20 0.39
GABRD O14764 2/20 0.39
GABRA1 P14867 2/20 0.39
GABRB1 P18505 2/20 0.39
GABRG2 P18507 2/20 0.39
GABRB3 P28472 2/20 0.39
GABRA5 P31644 2/20 0.39
GABRA3 P34903 2/20 0.39
GABRA2 P47869 2/20 0.39
GABRB2 P47870 2/20 0.39
GABRA4 P48169 2/20 0.39
GABRE P78334 2/20 0.39
GABRA6 Q16445 2/20 0.39
GABRG1 Q8N1C3 2/20 0.39
GABRG3 Q99928 2/20 0.39
GABRQ Q9UN88 2/20 0.39
AURKA O14965 1/20 0.39
HSP90AA1 P07900 1/20 0.39
PRKACA P17612 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Diaminopyrimidine SCHEMBL1290828 1.00 L3MBTL1 (0.40) L3MBTL1GABRPGABRDGABRA1GABRB1
Diaminopyrimidine SCHEMBL28181031 0.87 HRH3 (0.41) L3MBTL1ADORA2ACDK5CDK5R1CDC7
Diaminopyrimidine SCHEMBL28306271 0.86 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
Diaminopyrimidine SCHEMBL28306270 0.86 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
Diaminopyrimidine SCHEMBL27649689 0.84 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
Diaminopyrimidine SCHEMBL4611091 0.84 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
Diaminopyrimidine SCHEMBL27780033 0.82 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
Trifluoroacetic Acid SCHEMBL28220105 0.82 SORT1 (0.42) L3MBTL1AURKAHSP90AA1PRKACAADORA2A
Trifluoroacetic Acid SCHEMBL27659159 0.82 CXCR4 (0.42) L3MBTL1GABRPGABRDGABRA1GABRB1
Diaminopyrimidine SCHEMBL28220186 0.80 ROCK1 (0.41) GABRPGABRDGABRA1GABRB1GABRG2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101243081-A Pyrido[2,3-d]pyrimidine-2,4-diamine compounds as PTP1B inhibitors HOFFMANN LA ROCHE (CH) 2008-08-13 CN claimed
CN-113166103-B EGFR inhibitor and application thereof 江苏先声药业有限公司 2022-12-16 CN disclosed
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 US disclosed
CN-102227422-A Heterocyclic jak kinase inhibitors ASTRAZENECA AB 2011-10-26 CN disclosed
CN-101998958-A Thieno-and furo-pyrimidine modulators of the histamine h4 receptor JANSSEN PHARMACEUTICA NV 2011-03-30 CN disclosed
CN-101654452-A Heterocyclic compounds and methods of use. TARGEGEN INC US 2010-02-24 CN disclosed
CN-101511190-A Pressure sensor fault detection JANSSEN PHARMACEUTICA NV (BE) 2009-08-19 CN disclosed
US-7550460-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2009-06-23 US disclosed
US-7435814-B2 2,4-Pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2008-10-14 US disclosed
CN-101243081-A Pyrido[2,3-d]pyrimidine-2,4-diamine compounds as PTP1B inhibitors HOFFMANN LA ROCHE (CH) 2008-08-13 CN disclosed
US-7332484-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2008-02-19 US disclosed
US-20080039622-A1 Inhibiting the immunoglobulin (Ig) IgE and/or IgG receptor using R940343, N4-[(2,2-Difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; treating allergic and inflammatory diseases; syk kinase inhibitors RIGEL PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-7329671-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
US-7329672-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2008-02-12 US disclosed
CN-101044125-A Heterocyclic compounds and methods of use TARGEGEN INC (US) 2007-09-26 CN disclosed
WO-2007042299-A1 PYRROLOPYRIMIDINE DERIVATIVES AS SYK INHIBITORS GLAXO GROUP LIMITED (GB) 2007-04-19 WO disclosed
US-20060135543-A1 N4-(1,4-Benzoxazin-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors RIGEL PHARMACEUTICALS, INC. 2006-06-22 US disclosed
US-20060058292-A1 N4-[2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; inhibit the immunoglobulins IgE or IgG receptor signaling cascades in mast, basophil cells; antiallergen, antiinflammatory agent; asthma, osteoarthritis MIDCAP FINANCIAL TRUST 2006-03-16 US disclosed
US-20060035916-A1 N2,N4-bis(3-hydroxyphenyl)-5-fluoro-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors MIDCAP FINANCIAL TRUST 2006-02-16 US disclosed
US-20060025410-A1 N4-(1,4-Benzoxazin-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors MIDCAP FINANCIAL TRUST 2006-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060058292-A1 N4-[2,2-difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; inhibit the immunoglobulins IgE or IgG receptor signaling cascades in mast, basophil cells; antiallergen, antiinflammatory agent; asthma, osteoarthritis FCER2, FCGR1A, HRH4 L3MBTL1 4057/4885GABRP 2785/4885GABRD 2070/4885
US-20130310340-A1 METHOD OF TREATING MUSCULAR DEGRADATION PYGM, CKMT1A; CKMT1B, SMN1; SMN2 L3MBTL1 1306/4885GABRP 2613/4885GABRD 944/4885
US-20060035916-A1 N2,N4-bis(3-hydroxyphenyl)-5-fluoro-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors SYK, FCER2, FCGR1A L3MBTL1 4290/4885GABRP 3229/4885GABRD 3356/4885
US-20080039622-A1 Inhibiting the immunoglobulin (Ig) IgE and/or IgG receptor using R940343, N4-[(2,2-Difluoro-4H-benzo[1,4]oxazin-3-one)-6-yl]-5-fluoro-N2-[3-(methylaminocarbonylmethyleneoxy)phenyl]-2,4-pyrimidinediamine; treating allergic and inflammatory diseases; syk kinase inhibitors FCER2, FCGR1A, FCGR2A L3MBTL1 3707/4885GABRP 2065/4885GABRD 2355/4885
US-20060025410-A1 N4-(1,4-Benzoxazin-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors SYK, FCER2, FCGR1A L3MBTL1 4326/4885GABRP 3376/4885GABRD 2796/4885
US-20060135543-A1 N4-(1,4-Benzoxazin-6-yl)-5-fluoro-N2-[3-(N-methylamino)carbonylmethyleneoxyphenyl]-2,4-pyrimidinediamine or a salt, hydrate, solvate and/or N-oxide; inhibit the IgE and/or IgG receptor signaling cascades that lead to the release of chemical mediators; Syk kinase inhibitors SYK, FCER2, FCGR1A L3MBTL1 4326/4885GABRP 3376/4885GABRD 2796/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.