SCHEMBL12466640

SCHEMBL12466640

CCc1ncnc(-c2ccc(C)nc2)c1C#Cc1cnc(C)c(NS(C)(=O)=O)c1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.66
MTOR P42345 6/20 0.62

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
SCHEMBL14635024 0.89 PIK3CA (0.56) PIK3CAMTOR
SCHEMBL14635295 0.88 PIK3CA (0.70) PIK3CAMTOR
SCHEMBL12466706 0.88 PIK3CA (0.68) PIK3CAMTOR
SCHEMBL14635207 0.88 PIK3CA (0.62) PIK3CAMTOR
SCHEMBL12466845 0.88 PIK3CA (0.65) PIK3CAMTOR
SCHEMBL14635162 0.87 PIK3CA (0.64) PIK3CAMTOR
SCHEMBL14635246 0.86 PIK3CA (0.63) PIK3CAMTOR
SCHEMBL14635758 0.85 PIK3CA (0.62) PIK3CAMTOR
SCHEMBL12466492 0.85 PIK3CA (0.62) PIK3CAMTOR
SCHEMBL12466736 0.85 PIK3CA (0.58) PIK3CAMTOR

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 67/4885

“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.