SCHEMBL17701123

SCHEMBL17701123

N#Cc1ccncc1-c1ncn(CCc2ccccc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 4/20 0.49
▸ KDM2B Q8NHM5 1/20 0.49
▸ CNR1 P21554 5/20 0.40
▸ CNR2 P34972 4/20 0.40
▸ BAZ2B Q9UIF8 3/20 0.37
▸ BAZ2A Q9UIF9 3/20 0.37
▸ SCN2A Q99250 1/20 0.37
▸ CECR2 Q9BXF3 1/20 0.37
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ FRK P42685 1/20 0.36
▸ MAPK9 P45984 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ PRKD2 Q9BZL6 1/20 0.36
▸ MAP4K5 Q9Y4K4 1/20 0.36
▸ PHF8 Q9UPP1 1/20 0.35
▸ GRIN1 Q05586 1/20 0.35
▸ GRIN2B Q13224 1/20 0.35

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
SCHEMBL16032963 0.77 KDM4C (0.64) KDM4CKDM2BBAZ2BBAZ2ASCN2A
SCHEMBL16034273 0.70 KDM4C (0.69) KDM4CKDM2BPHF8MAPK13MAPK12
SCHEMBL16034019 0.66 KDM4C (1.00) KDM4CKDM2BPHF8
SCHEMBL16033852 0.64 PHF8 (0.51) KDM4CKDM2BPHF8
SCHEMBL7215513 0.63 ATR (0.50) CNR1CNR2
SCHEMBL19101732 0.62 KDM4C (0.72) KDM4CKDM2BMAP4K4MAPK9CSNK1A1
SCHEMBL3092513 0.62 DPP4 (0.47) KDM4CKDM2BCNR1
SCHEMBL19955381 0.61 CYP11B2 (0.49) CNR1CNR2MEN1KMT2A
SCHEMBL3599723 0.60 CNR1 (0.42) KDM4CKDM2BCNR1
SCHEMBL19955350 0.60 PDE3B (0.50) GSK3BMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9701657-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2017-07-11 — — US disclosed
US-20160113914-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-28 — — 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 (1 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-20160113914-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM1A, KDM3B KDM4C 13/4885KDM2B 19/4885CNR1 3593/4885

“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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