SCHEMBL696357

SCHEMBL696357

CCc1nccc(-c2ccc(C(=O)N3CCN(C(C)=O)CC3)c(F)c2)c1C#Cc1ccc(N)nc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 1.00
PIK3CA P42336 1/20 0.78

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
SCHEMBL695814 0.94 MTOR (1.00) MTOR
SCHEMBL693910 0.93 MTOR (1.00) MTOR
SCHEMBL12728146 0.91 MTOR (1.00) MTOR
SCHEMBL7875318 0.91 MTOR (1.00) MTOR
SCHEMBL7873087 0.91 MTOR (1.00) MTORPIK3CA
SCHEMBL695193 0.91 MTOR (1.00) MTORPIK3CA
SCHEMBL695074 0.91 MTOR (1.00) MTORPIK3CA
SCHEMBL7878590 0.91 MTOR (1.00) MTORPIK3CA
SCHEMBL695887 0.91 MTOR (1.00) MTORPIK3CA
SCHEMBL12728208 0.91 MTOR (1.00) MTOR

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 17 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 claimed
US-9090564-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2015-07-28 US claimed
US-20130196975-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-01 US claimed
US-20110098275-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-28 US claimed
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
WO-2010122069-A1 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO 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 2480/4885
US-20110098275-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 MTOR 1220/4885PIK3CA 2480/4885

“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.