SCHEMBL16033590

SCHEMBL16033590

N#Cc1ccnc(-c2ncn(CC3CC3)c2-c2ccc(Cl)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 8/20 0.67
▸ TGFBR1 P36897 3/20 0.47
▸ MAPK14 Q16539 4/20 0.47
▸ MAPK13 O15264 2/20 0.47
▸ MAPK12 P53778 2/20 0.47
▸ MAPK11 Q15759 2/20 0.47
▸ MDM2 Q00987 2/20 0.42
▸ KDM5A P29375 2/20 0.41
▸ KDM2B Q8NHM5 2/20 0.41
▸ KDM5B Q9UGL1 2/20 0.41
▸ TP53 P04637 1/20 0.39
▸ KDM1A O60341 2/20 0.37
▸ TGFBR2 P37173 1/20 0.37

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
SCHEMBL16033165 0.89 KDM4C (0.67) KDM4CTGFBR1MAPK14MAPK13MAPK12
SCHEMBL16033766 0.80 KDM4C (1.00) KDM4CKDM5AKDM2BKDM5B
SCHEMBL16033744 0.80 KDM4C (0.41) KDM4CTGFBR1MAPK14MAPK13MAPK12
SCHEMBL2614578 0.79 MAPK14 (0.65) KDM4CTGFBR1MAPK14MAPK13MAPK12
SCHEMBL16034333 0.78 KDM4C (0.62) KDM4CKDM5AKDM2BKDM5B
SCHEMBL16032963 0.78 KDM4C (0.64) KDM4CKDM5AKDM2BKDM5B
SCHEMBL16033938 0.77 KDM4C (1.00) KDM4CMAPK14MAPK13MAPK12MAPK11
SCHEMBL20979030 0.75 KDM4C (0.70) KDM4CTGFBR1MAPK14MAPK13MAPK12
SCHEMBL16033671 0.74 KDM4C (0.70) KDM4CKDM5AKDM2BKDM5B
SCHEMBL2614649 0.73 MAPK14 (0.77) KDM4CTGFBR1MAPK14MAPK13MAPK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969007-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2019-05-08 — — EP disclosed
US-10273222-B2 Histone demethylase inhibitors CELGENE QUANTSCEL RESEARCH, INC. (US) 2019-04-30 — — US disclosed
US-9963441-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-08 — — US disclosed
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2017-11-23 — — US disclosed
US-9701657-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-07-11 — — US disclosed
US-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE PHARMACEUTICALS INC (US) 2017-03-09 — — US disclosed
US-9527829-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2016-12-27 — — US disclosed
US-20160122314-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-05-05 — — US disclosed
US-20160113914-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 — — US disclosed
US-9133166-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2015-09-15 — — US disclosed
US-20140275084-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-18 — — 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-10273222-B2 Histone demethylase inhibitors KDM1B, KDM1A, KDM3B KDM4C 13/4885TGFBR1 2464/4885MAPK14 3090/4885
US-20170066739-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM4C 13/4885TGFBR1 2464/4885MAPK14 3090/4885
US-20170334879-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM4C 13/4885TGFBR1 2464/4885MAPK14 3090/4885
US-20140275084-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM4C 13/4885TGFBR1 2464/4885MAPK14 3090/4885
US-20160122314-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM4C 13/4885TGFBR1 2464/4885MAPK14 3090/4885
US-20160113914-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM4C 13/4885TGFBR1 2464/4885MAPK14 3090/4885

“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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