SCHEMBL696123

SCHEMBL696123

CCc1nc(N)ccc1C#Cc1c(-c2ccc(C(=O)O)c(F)c2)ccnc1CC

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.77

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
SCHEMBL695346 0.92 MTOR (0.74) MTOR
SCHEMBL7875295 0.88 MTOR (1.00) MTOR
SCHEMBL695185 0.85 MTOR (0.75) MTOR
SCHEMBL7878744 0.85 MTOR (1.00) MTOR
SCHEMBL7873067 0.84 MTOR (0.56) MTOR
SCHEMBL7875299 0.83 MTOR (1.00) MTOR
SCHEMBL7876966 0.81 MTOR (1.00) MTOR
SCHEMBL7879082 0.81 MTOR (1.00) MTOR
SCHEMBL7871259 0.80 MTOR (1.00) MTOR
SCHEMBL7875822 0.79 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 14 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
CN-102459224-A 5-alkynyl-pyridines BOEHRINGER INGELHEIM INT 2012-05-16 CN 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 1220/4885
US-20110098275-A1 5-ALKYNYL-PYRIDINES MKI67, KIT, CCNA1 MTOR 1220/4885

“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.