SCHEMBL2324922

SCHEMBL2324922

CCOC(=O)c1cnc(SC)nc1/C=C/N(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.54
▸ MEN1 O00255 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ TDP1 Q9NUW8 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ SYK P43405 2/20 0.49
▸ MAPT P10636 5/20 0.48
▸ HPGD P15428 2/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ NFKB1 P19838 2/20 0.47
▸ NFKB2 Q00653 2/20 0.47
▸ RELA Q04206 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ FOS P01100 1/20 0.47
▸ JUN P05412 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 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
SCHEMBL31019262 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL2324613 1.00 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL28882232 0.87 CSNK1D (0.45) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL12279519 0.87 CSNK1D (0.45) ALDH1A1MEN1KMT2APOLBMAPT
SCHEMBL14637930 0.84 MEN1 (0.54) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL14633349 0.83 MEN1 (0.58) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL17948454 0.82 MEN1 (0.57) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL15206750 0.82 MEN1 (0.43) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL15206749 0.82 MEN1 (0.43) ALDH1A1MEN1KMT2ATDP1POLB
SCHEMBL27892479 0.78 MAPT (0.40) ALDH1A1MEN1KMT2APOLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115003671-A JNK inhibitors, pharmaceutical compositions and uses thereof 武汉朗来科技发展有限公司 2022-09-02 — — CN disclosed
WO-2022048684-A1 JNK INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉朗来科技发展有限公司 2022-03-10 — — WO disclosed
WO-2022048684-A1 JNK INHIBITOR, PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF 武汉朗来科技发展有限公司 2022-03-10 — — WO disclosed
US-20200291018-A1 TAM KINASE INHIBITORS SYROS PHARMACEUTICALS, INC. (US) 2020-09-17 — — US disclosed
US-20200291018-A1 TAM KINASE INHIBITORS SYROS PHARMACEUTICALS, INC. (US) 2020-09-17 — — US disclosed
EP-3652174-A1 TAM KINASE INHIBITORS Syros Pharmaceuticals, Inc. (US) 2020-05-20 — — EP disclosed
WO-2019014513-A1 TAM KINASE INHIBITORS SYROS PHARMACEUTICALS, INC. (US) 2019-01-17 — — WO disclosed
WO-2019014513-A1 TAM KINASE INHIBITORS SYROS PHARMACEUTICALS, INC. (US) 2019-01-17 — — WO disclosed
US-9725462-B2 Pyridopyrimidine derivatives as protein kinase inhibitors MERCK PATENT GMBH (DE) 2017-08-08 — — US disclosed
US-9725462-B2 Pyridopyrimidine derivatives as protein kinase inhibitors MERCK PATENT GMBH (DE) 2017-08-08 — — US disclosed
US-20130225589-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-08-29 — — US disclosed
WO-2013126656-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-08-29 — — WO disclosed
US-20130225589-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES ABBVIE INC. (US) 2013-08-29 — — US disclosed
EP-2352732-B1 2,5-DIAMINO-SUBSTITUTED PYRIDO[4, 3-d]PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GMBH (DE) 2013-02-20 — — EP disclosed
EP-2352732-B1 2,5-DIAMINO-SUBSTITUTED PYRIDO[4, 3-d]PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GMBH (DE) 2013-02-20 — — EP disclosed
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-09-29 — — US disclosed
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG 2011-09-29 — — US disclosed
EP-2352732-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO Ý4, 3-D¨PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER Merck Patent GmbH (DE) 2011-08-10 — — EP disclosed
WO-2010063352-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GMBH (DE) 2010-06-10 — — WO disclosed
WO-2010063352-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER MERCK PATENT GMBH (DE) 2010-06-10 — — 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 (3 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-20200291018-A1 TAM KINASE INHIBITORS MAP3K1, PIK3CA, MAP3K5 ALDH1A1 3392/4885MEN1 1625/4885KMT2A 827/4885
US-20130225589-A1 PYRIDOPYRIMIDINONE INHIBITORS OF KINASES WEE1, WEE2, CDK1 ALDH1A1 1211/4885MEN1 1217/4885KMT2A 1407/4885
US-20110237583-A1 2, 5-DIAMINO-SUBSTITUTED PYRIDO [4, 3-D] PYRIMIDINES AS AUTOTAXIN INHIBITORS AGAINST CANCER ENPP2, PLA2G4A, PLA2G4B ALDH1A1 2393/4885MEN1 1279/4885KMT2A 1198/4885

“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.

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