SCHEMBL14738477

SCHEMBL14738477

COc1ccc2nn(C)c(I)c2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 4/20 0.45
KDM4C Q9H3R0 1/20 0.43
KDM4E B2RXH2 7/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 3/20 0.42
NQO2 P16083 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 4/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.40
GFER P55789 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL15791888 0.88 KDM4C (0.42) APPKDM4CKDM4EALDH1A1MEN1
SCHEMBL14739769 0.82 KDM4C (0.46) KDM4CKDM4EALDH1A1LMNASMN1; SMN2
SCHEMBL14738327 0.82 KDM4C (0.34) APPKDM4CALDH1A1KMT2ANPC1
SCHEMBL21204908 0.82 KDM4E (0.44) KDM4CKDM4EALDH1A1MEN1KMT2A
SCHEMBL3136112 0.81 KDM4C (0.44) KDM4CKDM4EALDH1A1MEN1KMT2A
SCHEMBL15791953 0.78 LMNA (0.38) KDM4EALDH1A1MEN1KMT2ALMNA
SCHEMBL14738721 0.78 CYP1A2 (0.44) CYP1A2
SCHEMBL3135764 0.77 NQO1 (0.46) KDM4CKDM4EALDH1A1MEN1KMT2A
SCHEMBL21265906 0.76 MEN1 (0.37) KDM4CKDM4EALDH1A1MEN1KMT2A
SCHEMBL3131503 0.76 KDM4C (0.52) KDM4CKDM4EALDH1A1MEN1KMT2A

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 25 patents — showing the first 20. 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
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
US-20170326116-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-16 US 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
US-20160108032-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 US 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
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 APP 4635/4885KDM4C 12/4885KDM4E 16/4885
US-20160108032-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A APP 4635/4885KDM4C 12/4885KDM4E 16/4885
US-20180271843-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A APP 4635/4885KDM4C 12/4885KDM4E 16/4885
US-10231957-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM5A APP 4635/4885KDM4C 12/4885KDM4E 16/4885
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 APP 3645/4885KDM4C 1619/4885KDM4E 718/4885
US-20170326116-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5A APP 4635/4885KDM4C 12/4885KDM4E 16/4885

“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.