SCHEMBL16103487

SCHEMBL16103487

Oc1nc(OC2Cc3ccccc3C2)nc2cnccc12

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.41
▸ KDM4C Q9H3R0 5/20 0.36
▸ IDO1 P14902 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MAPKAPK2 P49137 1/20 0.33
▸ GBA1 P04062 3/20 0.32
▸ CDC7 O00311 1/20 0.31
▸ CYP19A1 P11511 1/20 0.31
▸ LATS1 O95835 3/20 0.31
▸ LATS2 Q9NRM7 2/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ ACACB O00763 1/20 0.31

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
SCHEMBL17517203 0.82 KDM4C (0.52) ROCK1KDM4CKDM4ECDC7LATS1
SCHEMBL16103116 0.79 IDO1 (0.40) KDM4CIDO1GBA1CYP19A1
SCHEMBL16101098 0.77 IDO1 (0.42) KDM4CIDO1GBA1
SCHEMBL16128821 0.77 CYP19A1 (0.43) KDM4CGBA1CYP19A1
SCHEMBL19272656 0.74 CDC7 (0.39) KDM4CIDO1KDM4EMAPKAPK2CDC7
SCHEMBL17503825 0.73 KDM4C (0.51) KDM4CKDM4EMAPKAPK2
SCHEMBL16095498 0.72 HASPIN (0.39) KDM4CIDO1KDM4EMAPKAPK2CDC7
SCHEMBL16128722 0.72 KDM4C (0.44) KDM4CGBA1CYP19A1
SCHEMBL16097524 0.72 LRRK2 (0.33) KDM4C
SCHEMBL17503840 0.72 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-08 — — US claimed
US-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-11-08 — — US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
US-9994562-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-06-12 — — US disclosed
EP-2970211-B1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS INC (US) 2017-07-26 — — EP disclosed
EP-2970211-B1 HISTONE DEMETHYLASE INHIBITORS QUANTICEL PHARMACEUTICALS INC (US) 2017-07-26 — — EP disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — US disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — US disclosed
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC 2016-02-11 — — US disclosed
EP-2970211-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals Inc (US) 2016-01-20 — — EP disclosed
WO-2014151106-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — WO disclosed
WO-2014151106-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2014-09-25 — — 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 (2 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-20180319793-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C ROCK1 682/4885KDM4C 9/4885IDO1 262/4885
US-20160039808-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM5C ROCK1 682/4885KDM4C 9/4885IDO1 262/4885

“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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