SCHEMBL14649554

SCHEMBL14649554

CCc1nc(N)nc(-c2ccc(C)nc2)c1C#Cc1cnc(C)c(NS(=O)(=O)c2ccc(C)cc2F)c1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.48
PIK3C3 Q8NEB9 1/20 0.42
MTOR P42345 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
SCHEMBL14635106 0.95 PIK3CA (0.53) PIK3CAPIK3C3MTOR
SCHEMBL14649553 0.90 PIK3CA (0.47) PIK3CAPIK3C3MTOR
SCHEMBL14649533 0.89 PIK3CA (0.52) PIK3CAMTOR
SCHEMBL14649534 0.87 PIK3CA (0.45) PIK3CAPIK3C3
SCHEMBL14635207 0.86 PIK3CA (0.62) PIK3CAMTOR
SCHEMBL14635455 0.86 PIK3CA (0.52) PIK3CAPIK3C3MTOR
SCHEMBL14649563 0.85 PIK3CA (0.45) PIK3CAPIK3C3
SCHEMBL12466736 0.83 PIK3CA (0.58) PIK3CAMTOR
SCHEMBL14649549 0.83 MTOR (0.55) PIK3CAMTOR
SCHEMBL14635754 0.82 PIK3CA (0.52) PIK3CAPIK3C3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885PIK3C3 129/4885MTOR 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.