SCHEMBL17144820

SCHEMBL17144820

OCc1ccnc(CN2CCCn3ccnc3C2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.41
▸ RECQL P46063 1/20 0.35
▸ KDM5C P41229 1/20 0.34
▸ KDM4C Q9H3R0 1/20 0.34
▸ PDE7B Q9NP56 1/20 0.33
▸ SCD O00767 1/20 0.31
▸ SCD5 Q86SK9 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ VNN1 O95497 1/20 0.31
▸ PARP1 P09874 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ GAA P10253 1/20 0.30

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 0.82 KDM4C (0.56) KDM5CKDM4CSCDSCD5VNN1
SCHEMBL17145009 0.81 CXCR4 (0.35) CXCR4KDM5CKDM4CPDE7BSCD
SCHEMBL19741663 0.80 KDM4C (0.56) KDM5CKDM4CSCDSCD5VNN1
SCHEMBL21482061 0.79 CXCR4 (0.56) CXCR4RECQLKDM5CKDM4CLMNA
SCHEMBL17145118 0.77 JMJD6 (0.46) KDM5CKDM4C
SCHEMBL17144910 0.76 JMJD6 (0.42) KDM5CKDM4CVNN1
SCHEMBL17144777 0.74 KDM4C (0.58) KDM5CKDM4CPDE7BSCDSCD5
SCHEMBL17144874 0.70 PDE7B (0.33) CXCR4PDE7B
SCHEMBL14837570 0.67 SIGMAR1 (0.52) LMNA
SCHEMBL13573578 0.65 LMNA (0.47) PDE7BIDH1LMNA

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 CXCR4 4368/4885RECQL 214/4885KDM5C 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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