SCHEMBL12466508

SCHEMBL12466508

COc1ncc(C#Cc2c(C)nc(N)nc2-c2ccnc(C)c2)cc1NS(C)(=O)=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.49
MTOR P42345 6/20 0.45
PIK3CD O00329 1/20 0.42
PIK3CB P42338 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL14635423 0.86 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL14649548 0.86 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL14652528 0.82 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL14649389 0.82 PIK3CA (0.46) PIK3CAMTOR
SCHEMBL14635699 0.80 PIK3CA (0.61) PIK3CAMTOR
SCHEMBL12466743 0.77 MTOR (0.56) PIK3CAMTORPIK3CB
SCHEMBL14635508 0.77 PIK3CA (0.59) PIK3CAMTOR
SCHEMBL14635108 0.77 MTOR (0.51) PIK3CAMTORPIK3CB
SCHEMBL12136261 0.76 MTOR (0.63) PIK3CAMTOR
SCHEMBL14649568 0.74 PIK3CA (0.56) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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-2668178-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-20 EP claimed
US-8466162-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US claimed
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US claimed
EP-2668178-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-20 EP disclosed
EP-2668178-B1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INT (DE) 2016-01-20 EP disclosed
EP-2668178-A1 NEW 5-ALKYNYL-PYRIDINES Boehringer Ingelheim International GmbH (DE) 2013-12-04 EP disclosed
US-8466162-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466162-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-8466162-B2 5-alkynyl-pyridines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-18 US disclosed
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
WO-2012101184-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-08-02 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 (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-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES PIK3CA, MKI67, PIK3CD PIK3CA 1/4885MTOR 67/4885PIK3CD 3/4885

“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.