SCHEMBL17144910

SCHEMBL17144910

COC(=O)c1ccnc(CN2CCCCn3ccnc3C2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JMJD6 Q6NYC1 1/20 0.42
▸ KDM4C Q9H3R0 3/20 0.41
▸ KDM5C P41229 2/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ KDM6B O15054 1/20 0.41
▸ KDM2A Q9Y2K7 1/20 0.41
▸ KDM3A Q9Y4C1 1/20 0.41
▸ WNT1 P04628 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ KDM5B Q9UGL1 3/20 0.39
▸ KDM5A P29375 2/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ ALOX15 P16050 2/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NPC1 O15118 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
SCHEMBL17145118 0.88 JMJD6 (0.46) JMJD6KDM4CKDM5CKDM4EWNT1
SCHEMBL19741663 0.87 KDM4C (0.56) JMJD6KDM4CKDM5CKDM4EKDM6B
SCHEMBL9736097 0.85 KDM4C (0.54) JMJD6KDM4CKDM5CKDM4EKDM6B
SCHEMBL17144722 0.84 KDM4C (0.56) JMJD6KDM4CKDM5CKDM4EKDM6B
SCHEMBL17144777 0.80 KDM4C (0.58) JMJD6KDM4CKDM5CKDM4EKDM6B
SCHEMBL17144820 0.76 CXCR4 (0.41) KDM4CKDM5CVNN1
SCHEMBL1287024 0.76 BRD4 (0.48) KDM4CKDM5CKDM4EKDM6BKDM2A
SCHEMBL1287113 0.75 NPC1 (0.45) JMJD6KDM4CKDM5CKDM4EKDM6B
SCHEMBL1287025 0.75 KDM5C (0.51) JMJD6KDM4CKDM5CKDM4EKDM6B
SCHEMBL17145009 0.74 CXCR4 (0.35) KDM4CKDM5C

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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US disclosed
EP-3126345-A1 INHIBITORS OF HISTONE DEMETHYLASES Gilead Sciences, Inc. (US) 2017-02-08 — — EP disclosed
WO-2015153498-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS, APS (DK) 2015-10-08 — — 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 (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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A JMJD6 26/4885KDM4C 38/4885KDM5C 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.

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