SCHEMBL14737323

SCHEMBL14737323

Cn1nc(I)c2ccc(Cl)cc21

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 8/20 0.43
KMO O15229 1/20 0.40
KDM4C Q9H3R0 1/20 0.39
MAPK8 P45983 4/20 0.38
MAPK9 P45984 3/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
NTRK1 P04629 1/20 0.37
MAPK10 P53779 2/20 0.37
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ESR1 P03372 1/20 0.36
PRMT5 O14744 1/20 0.35

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
SCHEMBL15793095 0.85 MAPK8 (0.44) KDM4CMAPK8MAPK9MAPK10
SCHEMBL10222165 0.79 ADORA2A (0.59) MAT2AKMOKDM4CMAPK8MAPK9
SCHEMBL14737731 0.79 ADORA2A (0.44) KDM4CADORA2AADORA2BTP53SMN1; SMN2
SCHEMBL30112337 0.78 PDGFRA (0.41) MAPK8ADORA2AADORA2BNTRK1ESR1
SCHEMBL17674125 0.78 PDGFRA (0.41) MAPK8ADORA2AADORA2BNTRK1ESR1
SCHEMBL25175266 0.78 DDB1 (0.50) ADORA2AADORA2BESR1
SCHEMBL17610229 0.78 ATM (0.44) MAT2AKDM4CADORA2AADORA2BESR1
SCHEMBL25079222 0.78 ESR1 (0.58) ADORA2AADORA2BESR1
SCHEMBL10320957 0.78 NR4A2 (0.42) MAT2AKMOKDM4CADORA2AADORA2B
SCHEMBL14738559 0.77 KMO (0.43) MAT2AKMOKDM4CMAPK8ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021067827-A1 MCL1 INHIBITORS AND USES THEREOF CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2021-04-08 WO disclosed
EP-3194387-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-07-31 EP disclosed
EP-3194387-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-07-31 EP disclosed
US-10231957-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-19 US disclosed
US-10231957-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-03-19 US disclosed
US-20180271843-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-09-27 US disclosed
US-10016401-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-10 US disclosed
US-10016401-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-10 US disclosed
US-10016401-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-07-10 US disclosed
US-20170326116-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-16 US disclosed
WO-2016044138-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 WO disclosed
WO-2016044138-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2016-03-24 WO disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
WO-2013030138-A1 PYRROLOPYRAZINE KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2013-03-07 WO disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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 (5 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-10016401-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A MAT2A 240/4885KMO 585/4885KDM4C 12/4885
US-20180271843-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A MAT2A 240/4885KMO 585/4885KDM4C 12/4885
US-10231957-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A MAT2A 240/4885KMO 585/4885KDM4C 12/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 MAT2A 2959/4885KMO 720/4885KDM4C 1619/4885
US-20170326116-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A MAT2A 240/4885KMO 585/4885KDM4C 12/4885

“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.