SCHEMBL14635183

SCHEMBL14635183

CCc1ccccc1S(=O)(=O)Nc1cc(C#Cc2c(CC)ncnc2-c2ccnc(C)c2)cnc1C

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.54
MTOR P42345 4/20 0.54

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
SCHEMBL14635572 0.93 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL14635703 0.92 PIK3CA (0.53) PIK3CAMTOR
SCHEMBL14635313 0.90 PIK3CA (0.51) PIK3CAMTOR
SCHEMBL14634893 0.90 PIK3CA (0.59) PIK3CAMTOR
SCHEMBL14635399 0.88 PIK3CA (0.54) PIK3CAMTOR
SCHEMBL17450463 0.87 PIK3CA (0.53) PIK3CAMTOR
SCHEMBL12466845 0.87 PIK3CA (0.65) PIK3CAMTOR
SCHEMBL14635349 0.86 PIK3CA (0.59) PIK3CAMTOR
SCHEMBL14649580 0.86 PIK3CA (0.52) PIK3CAMTOR
SCHEMBL14649539 0.86 PIK3CA (0.52) 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 11 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
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
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US 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.