SCHEMBL655728

SCHEMBL655728

CCCC(=O)c1cccc(N)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.52
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 1/20 0.49
MITF O75030 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HSD17B3 P37058 1/20 0.48
F2 P00734 1/20 0.44
PLG P00747 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
HTR2B P41595 1/20 0.43
ELANE P08246 2/20 0.43
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43

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
SCHEMBL29153730 0.86 HSD17B3 (0.57) ALDH1A1HPGDSMN1; SMN2NPC1LMNA
SCHEMBL2208370 0.85 PBRM1 (0.55) PBRM1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL27324757 0.81 PBRM1 (0.52) PBRM1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL1538686 0.81 PBRM1 (0.52) PBRM1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL10005649 0.81 NR4A2 (0.62) PBRM1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL8849952 0.81 PBRM1 (0.47) PBRM1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL19072807 0.81 THRA (0.53) PBRM1ALDH1A1KDM4ENPC1MITF
SCHEMBL28359889 0.80 PBRM1 (0.59) PBRM1ALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL11064521 0.80 KDM4E (0.47) PBRM1ALDH1A1KDM4ESMN1; SMN2NPC1
SCHEMBL2026598 0.79 HSD17B3 (0.60) ALDH1A1KDM4EHPGDSMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118185381-A Marek pen ink and preparation method thereof 深圳千岸科技股份有限公司 2024-06-14 CN claimed
CN-118185381-A Marek pen ink and preparation method thereof 深圳千岸科技股份有限公司 2024-06-14 CN disclosed
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2021-05-18 US disclosed
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses Rigel Pharmceuticals, Inc. (US) 2020-11-10 US disclosed
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-07-14 US disclosed
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2020-06-16 US disclosed
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2020-03-19 US disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 US disclosed
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-08-06 US disclosed
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses RIGEL PHARMACEUTICALS, INC. (US) 2019-06-11 US disclosed
US-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2007-09-27 US disclosed
US-7060827-B2 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 US disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
WO-2004087637-A1 PRODUCTION OF N-ALKYLAMIDE COMPOUNDS TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-10-14 WO disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed
US-4482681-A HYDRATED SALT HERCULES INCORPORATED (US) 1984-11-13 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 (12 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-20070225321-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PBRM1 4022/4885ALDH1A1 2891/4885KDM4E 2840/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT PBRM1 3349/4885ALDH1A1 2723/4885KDM4E 2664/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PBRM1 4022/4885ALDH1A1 2891/4885KDM4E 2840/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PBRM1 4022/4885ALDH1A1 2891/4885KDM4E 2840/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PBRM1 4022/4885ALDH1A1 2891/4885KDM4E 2840/4885
US-10314840-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PBRM1 4022/4885ALDH1A1 2891/4885KDM4E 2840/4885
US-10369148-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PBRM1 4022/4885ALDH1A1 2891/4885KDM4E 2840/4885
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades FCER2, FCGR1A, FCGR2A PBRM1 4441/4885ALDH1A1 2615/4885KDM4E 1303/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A PBRM1 4733/4885ALDH1A1 2302/4885KDM4E 4318/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PBRM1 4022/4885ALDH1A1 2891/4885KDM4E 2840/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A PBRM1 4022/4885ALDH1A1 2891/4885KDM4E 2840/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A PBRM1 4022/4885ALDH1A1 2891/4885KDM4E 2840/4885

“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.