SCHEMBL14739769

SCHEMBL14739769

Cn1nc2ccc(OC(F)(F)F)cc2c1I

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.46
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C9 P11712 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
SCN4A P35499 2/20 0.39
SCN9A Q15858 2/20 0.39
GMNN O75496 1/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
NFKB1 P19838 1/20 0.39
SLC6A2 P23975 1/20 0.39
BLM P54132 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
SCHEMBL14738477 0.82 APP (0.45) KDM4CNPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL14738327 0.82 KDM4C (0.34) KDM4CNPC1RAB9ACYP2C9GAA
SCHEMBL17610190 0.76 KDM4C (0.43) KDM4CSCN4APKMDHODHKDR
SCHEMBL14737933 0.76 ELANE (0.40) KDM4CSMN1; SMN2GPR3ELANEHTR1A
SCHEMBL21265906 0.74 MEN1 (0.37) KDM4CCYP1A2CYP2C9GAAMAPK1
SCHEMBL15791953 0.72 LMNA (0.38) NPC1RAB9ACYP1A2SMN1; SMN2LMNA
SCHEMBL14738721 0.71 CYP1A2 (0.44) CYP1A2CYP2C9CYP2C19
SCHEMBL15791888 0.71 KDM4C (0.42) KDM4CNPC1RAB9ACYP1A2SMN1; SMN2
SCHEMBL14752457 0.71 ADORA2A (0.49) KDM4CGAAGPR3MAPK1ELANE
SCHEMBL15792055 0.70 KDM4C (0.40) KDM4CNPC1RAB9ASMN1; SMN2USP2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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-20170326116-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-16 US disclosed
US-9758517-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-09-12 US disclosed
EP-3194387-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2017-07-26 EP disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-20160108032-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 US 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
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

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-10016401-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A KDM4C 12/4885NPC1 4611/4885RAB9A 3287/4885
US-20160108032-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A KDM4C 12/4885NPC1 4611/4885RAB9A 3287/4885
US-20180271843-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A KDM4C 12/4885NPC1 4611/4885RAB9A 3287/4885
US-10231957-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A KDM4C 12/4885NPC1 4611/4885RAB9A 3287/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 KDM4C 1619/4885NPC1 4705/4885RAB9A 3181/4885
US-20170326116-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A KDM4C 12/4885NPC1 4611/4885RAB9A 3287/4885

“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.