SCHEMBL1285906

SCHEMBL1285906

Cc1cc(Oc2cc(Cl)ncn2)cc2cn[nH]c12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ACACB O00763 13/20 0.35
TRPA1 O75762 1/20 0.34
ADORA2A P29274 1/20 0.33
NOS1 P29475 1/20 0.33
RAF1 P04049 1/20 0.32

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
SCHEMBL1285784 0.72 SYK (0.35) KDM4ENOS1RAF1
SCHEMBL1285542 0.72 PDE3B (0.34) KDM4ERAF1
SCHEMBL1285676 0.72 KDM4E (0.34) KDM4ERAF1
SCHEMBL1286279 0.71 KMO (0.49) KDM4ERAF1
SCHEMBL1285773 0.71 HTT (0.40) KDM4ERAF1
SCHEMBL1285552 0.71 NPC1 (0.44) TRPA1
SCHEMBL1285598 0.69 DRD1 (0.38) KDM4EACACBRAF1
SCHEMBL1285450 0.68 KMO (0.36) KDM4E
SCHEMBL1286182 0.68 ALDH1A1 (0.33) KDM4ERAF1
SCHEMBL202508 0.68 NOS1 (0.46) KDM4EACACBTRPA1NOS1

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-8952014-B2 Pyrimidine derivatives which are CGRP—antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-10 US disclosed
US-20120088755-A1 Novel Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-12 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-20120088755-A1 Novel Compounds SLC26A4, F12, SLCO1B3 KDM4E 4588/4885ACACB 4356/4885TRPA1 558/4885

“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.