SCHEMBL17898948

SCHEMBL17898948

COc1ccc(CCn2cnc(-c3cc(-c4nn[nH]c4C)ccn3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM5B Q9UGL1 8/20 0.52
▸ KDM4C Q9H3R0 4/20 0.52
▸ KDM2B Q8NHM5 4/20 0.50
▸ KDM6B O15054 3/20 0.48
▸ PHF8 Q9UPP1 4/20 0.44
▸ KDM5A P29375 2/20 0.43

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
SCHEMBL17898931 0.90 KDM4C (0.63) KDM5BKDM4CKDM2BPHF8KDM5A
SCHEMBL17898943 0.90 KDM5B (0.63) KDM5BKDM4CKDM2BKDM6BPHF8
SCHEMBL17898951 0.89 KDM5B (0.62) KDM5BKDM4CKDM2BKDM6BPHF8
SCHEMBL17898932 0.88 KDM6B (0.62) KDM5BKDM4CKDM2BKDM6BPHF8
SCHEMBL20101117 0.88 KDM6B (0.61) KDM5BKDM4CKDM2BKDM6BPHF8
SCHEMBL17898945 0.88 KDM5B (0.61) KDM5BKDM4CKDM2BKDM6BPHF8
SCHEMBL17891727 0.87 KDM5B (0.57) KDM5BKDM4CKDM2BKDM6BKDM5A
SCHEMBL17898949 0.86 KDM5B (0.65) KDM5BKDM4CKDM2BKDM6BPHF8
SCHEMBL17898950 0.85 KDM5B (0.67) KDM5BKDM4CKDM2BKDM6BKDM5A
SCHEMBL17898937 0.82 KDM6B (0.64) KDM5BKDM4CKDM2BKDM6BPHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-05-03 — — US disclosed
US-9896436-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-02-20 — — US disclosed
US-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. 2016-07-07 — — 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 (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-20160194306-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM5B 11/4885KDM4C 14/4885KDM2B 15/4885
US-20180118720-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM5B 11/4885KDM4C 14/4885KDM2B 15/4885

“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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