SCHEMBL19741663

SCHEMBL19741663

O=C(O)c1ccnc(CN2CCCCn3ccnc3C2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 7/20 0.56
▸ KDM5C P41229 2/20 0.56
▸ KDM2B Q8NHM5 2/20 0.44
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ WNT1 P04628 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ JMJD6 Q6NYC1 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ PIK3CA P42336 1/20 0.36
▸ SCD O00767 1/20 0.36
▸ SCD5 Q86SK9 1/20 0.36
▸ KDM5A P29375 4/20 0.36
▸ KDM5B Q9UGL1 4/20 0.36
▸ KDM6B O15054 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
SCHEMBL17144722 0.98 KDM4C (0.56) KDM4CKDM5CKDM2BCYP2D6CYP2C9
SCHEMBL17144777 0.93 KDM4C (0.58) KDM4CKDM5CKDM2BWNT1DYRK1A
SCHEMBL17144910 0.87 JMJD6 (0.42) KDM4CKDM5CWNT1DYRK1AJMJD6
SCHEMBL2305288 0.84 KDM4C (0.76) KDM4CKDM5CKDM2BCYP2D6CYP2C9
SCHEMBL17145118 0.83 JMJD6 (0.46) KDM4CKDM5CWNT1DYRK1AJMJD6
SCHEMBL16291774 0.82 KDM4C (0.74) KDM4CKDM5CKDM2BCYP2D6CYP2C9
SCHEMBL15636461 0.81 KDM4C (0.76) KDM4CKDM5CKDM2BCYP2D6CYP2C9
SCHEMBL17144820 0.80 CXCR4 (0.41) KDM4CKDM5CSCDSCD5VNN1
SCHEMBL17145009 0.78 CXCR4 (0.35) KDM4CKDM5CSCDSCD5
SCHEMBL21257752 0.75 KDM4C (0.54) KDM4CKDM5CKDM2BCYP2D6CYP2C9

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 claimed
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — US disclosed
US-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2017-12-28 — — 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-20170369444-A1 INHIBITORS OF HISTONE DEMETHYLASES KDM1B, KDM3A, KDM1A KDM4C 38/4885KDM5C 16/4885KDM2B 24/4885

“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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