SCHEMBL1285889

SCHEMBL1285889

Cc1cc(Oc2cc(Cl)ncn2)cc2nc(C3CCOC3)[nH]c12

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FASN P49327 2/20 0.33
RAF1 P04049 1/20 0.31
MAP2K7 O14733 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
SCHEMBL1285522 0.94 FASN (0.34) FASNRAF1MAP2K7
SCHEMBL1285245 0.90 MAP2K7 (0.31) MAP2K7
SCHEMBL1285798 0.84 FASN (0.31) FASN
SCHEMBL1286197 0.84 ADORA3 (0.33) MAP2K7
SCHEMBL1286176 0.73 KCNH2 (0.40) RAF1
SCHEMBL1285791 0.73 KCNH2 (0.40) RAF1
SCHEMBL13351208 0.73 FASN (0.35) FASN
SCHEMBL1285676 0.73 KDM4E (0.34) RAF1
SCHEMBL1285887 0.72 PTGES (0.36)
SCHEMBL1285450 0.68 KMO (0.36)

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
EP-2379529-B1 CGRP-ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
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 FASN 4358/4885RAF1 3212/4885MAP2K7 4423/4885

“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.