SCHEMBL694162

SCHEMBL694162

Cc1nccc(Cl)c1C#Cc1ccc(N)nc1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.61
PIK3CA P42336 6/20 0.56
CCNE1 P24864 2/20 0.55
CDK2 P24941 2/20 0.55
GSK3A P49840 1/20 0.49

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
SCHEMBL695785 0.82 MTOR (0.62) MTORPIK3CA
SCHEMBL503131 0.81 MTOR (0.64) MTORPIK3CA
SCHEMBL7877475 0.80 MTOR (0.59) MTORPIK3CACCNE1CDK2
SCHEMBL7876726 0.76 MTOR (1.00) MTORPIK3CACCNE1CDK2
SCHEMBL1357751 0.75 MTOR (0.50) MTORPIK3CACCNE1CDK2
SCHEMBL695553 0.75 MTOR (0.81) MTORPIK3CACCNE1CDK2GSK3A
SCHEMBL7883972 0.74 MTOR (1.00) MTORCCNE1CDK2
SCHEMBL12728156 0.73 MTOR (1.00) MTORCCNE1CDK2
SCHEMBL7881634 0.73 MTOR (1.00) MTORPIK3CACCNE1CDK2GSK3A
SCHEMBL7873079 0.73 MTOR (1.00) MTORPIK3CACCNE1CDK2GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421846-B1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed
EP-2421846-B1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-06 EP disclosed
US-9090564-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2015-07-28 US disclosed
US-9090564-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2015-07-28 US disclosed
US-9090564-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2015-07-28 US disclosed
US-20130196975-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20130196975-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
US-20130196975-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US disclosed
EP-2421846-A1 5-ALKYNYL-PYRIDINES Boehringer Ingelheim International GmbH (DE) 2012-02-29 EP disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US disclosed
WO-2010122069-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 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-20130196975-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 MTOR 1220/4885PIK3CA 2480/4885CCNE1 17/4885
US-20110098275-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 MTOR 1220/4885PIK3CA 2480/4885CCNE1 17/4885

“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.