SCHEMBL657497

SCHEMBL657497

Nc1ccc2c(c1)OCC=N2

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
KDM4E B2RXH2 3/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MITF O75030 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SYK P43405 1/20 0.33
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL30671626 1.00 MAPT (0.39) MAPTKDM4EGAAMEN1ALDH1A1
SCHEMBL657838 0.86 MAPT (0.40) MAPTKDM4EGAAMEN1ALDH1A1
SCHEMBL30986306 0.77 SYK (0.33) MAPTSYKNPC1RAB9A
SCHEMBL30748267 0.77 SYK (0.33) MAPTSYKNPC1RAB9A
SCHEMBL31259038 0.77 BLM (0.40) MAPTTDP1LMNA
SCHEMBL18918201 0.77 BLM (0.40) MAPTTDP1LMNA
SCHEMBL224636 0.75 TRPA1 (0.42) MAPTKDM4EGAAMEN1ALDH1A1
SCHEMBL29950379 0.74 TSHR (0.51) MAPTALDH1A1SMN1; SMN2MAPK1NPC1
Ammonia Solution, Strong SCHEMBL28509301 0.74 TRPA1 (0.41) MAPTKDM4EGAAALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL7159867 0.74 TRPA1 (0.41) MAPTKDM4EGAAALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118541354-A Benzo [ h ] quinazolin-4-amine derivatives for the treatment of cancer 雷多纳治疗公司 2024-08-23 CN claimed
CN-117924247-A Triazole derivative with liver cancer cell activity inhibiting function, and preparation method and application thereof 河南科技大学 2024-04-26 CN claimed
CN-118541354-A Benzo [ h ] quinazolin-4-amine derivatives for the treatment of cancer 雷多纳治疗公司 2024-08-23 CN disclosed
CN-117924247-A Triazole derivative with liver cancer cell activity inhibiting function, and preparation method and application thereof 河南科技大学 2024-04-26 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
CN-110248937-A 4, 5-Cyclic 1,2, 4-triazolones 拜耳股份有限公司 2019-09-17 CN disclosed
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2019-08-22 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
CN-1678321-A Methods of treating or preventing autoimmune diseases with 2, 4-pyrimidinediamine compounds RIGEL PHARMACEUTICALS INC (US) 2005-10-05 CN 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
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

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

For each of this compound's patents that has machine-readable text (10 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 MAPT 4104/4885KDM4E 2840/4885GAA 2220/4885
US-20040029902-A1 Antiinflamamtory agents FCER2, FCGR1A, HNMT MAPT 4330/4885KDM4E 2664/4885GAA 1313/4885
US-20200085820-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MAPT 4104/4885KDM4E 2840/4885GAA 2220/4885
US-10682350-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MAPT 4104/4885KDM4E 2840/4885GAA 2220/4885
US-10709703-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MAPT 4104/4885KDM4E 2840/4885GAA 2220/4885
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 MAPT 4733/4885KDM4E 1303/4885GAA 2185/4885
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents FCER2, FCGR1A, FCGR2A MAPT 4391/4885KDM4E 4318/4885GAA 1871/4885
US-11007193-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MAPT 4104/4885KDM4E 2840/4885GAA 2220/4885
US-20190255047-A1 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES FCER2, FCGR1A, FCGR2A MAPT 4104/4885KDM4E 2840/4885GAA 2220/4885
US-10828301-B2 2,4-pyrimidinediamine compounds and their uses FCER2, FCGR1A, FCGR2A MAPT 4104/4885KDM4E 2840/4885GAA 2220/4885

“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.