SCHEMBL3655586

SCHEMBL3655586

Cc1cc(C(=O)c2cc(Cl)ncn2)cc2c1NC(=O)C2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 3/20 0.37
CACNG8 Q8WXS5 3/20 0.37
CACNG2 Q9Y698 1/20 0.35
MALT1 Q9UDY8 1/20 0.33
S1PR1 P21453 1/20 0.32
S1PR3 Q99500 1/20 0.32
AHR P35869 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
CRBN Q96SW2 1/20 0.30
GRM5 P41594 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
SCHEMBL3654144 0.78 AHR (0.48) S1PR1S1PR3AHRSMYD3
SCHEMBL6525636 0.76 KMO (0.36) S1PR1
SCHEMBL9835868 0.73 ALDH1A1 (0.41) GRIA1CACNG8CACNG2AHRCRBN
SCHEMBL1742931 0.72 PTGS1 (0.34)
SCHEMBL3653195 0.71 SMN1; SMN2 (0.47)
SCHEMBL3659649 0.69 LCK (0.33)
SCHEMBL1742529 0.69 GRM5 (0.34) GRM5
SCHEMBL18208031 0.68 GRIA1 (0.43) GRIA1CACNG8CACNG2AHRGRM5
SCHEMBL5357730 0.68 GRIA1 (0.49) GRIA1CACNG8CACNG2MALT1AHR
SCHEMBL27796268 0.68

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205590-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-06-04 EP disclosed
EP-2205590-B1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-06-04 EP disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-8629137-B2 CGRP antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-01-14 US disclosed
US-20130029975-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20130029975-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-31 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
US-20110059954-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-03-10 US disclosed
EP-2205590-A1 CGRP ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2010-07-14 EP disclosed
WO-2009050232-A1 CGRP ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-23 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 (2 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-20110059954-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA GRIA1 318/4885CACNG8 682/4885CACNG2 746/4885
US-20130029975-A1 CGRP ANTAGONISTS CALCRL, CALCR, CALCA GRIA1 318/4885CACNG8 682/4885CACNG2 746/4885

“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.