SCHEMBL14652575

SCHEMBL14652575

CCc1nc(N)nc(Cl)c1-c1cnc(C)c(NS(C)(=O)=O)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.50
PIK3CB P42338 6/20 0.50
PIK3CG P48736 6/20 0.50
PIK3CD O00329 5/20 0.50
PIK3C3 Q8NEB9 1/20 0.42
GHSR Q92847 1/20 0.40

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
SCHEMBL14642570 0.85 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGPIK3CDPIK3C3
SCHEMBL14652533 0.84 PIK3CG (0.47) PIK3CAPIK3CBPIK3CGPIK3CDPIK3C3
SCHEMBL14652463 0.83 PIK3CA (0.44) PIK3CAPIK3CBPIK3CGPIK3CDPIK3C3
SCHEMBL14642583 0.81 PIK3CA (0.68) PIK3CAPIK3C3GHSR
SCHEMBL14652529 0.81 PIK3C3 (0.45) PIK3CAPIK3CBPIK3CGPIK3CDPIK3C3
SCHEMBL14652548 0.80 SLC22A12 (0.43) PIK3CAPIK3CGPIK3C3GHSR
SCHEMBL14652545 0.80 PIK3CA (0.43) PIK3CAPIK3CGPIK3C3
SCHEMBL14652577 0.78 PIK3CA (0.44) PIK3CAPIK3CGPIK3C3
SCHEMBL14642263 0.78 PIK3CA (0.70) PIK3CAPIK3CBPIK3CGPIK3CDPIK3C3
SCHEMBL12466420 0.78 PIK3CA (0.70) PIK3CA

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-20130023519-A1 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 (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-20130023519-A1 5-ALKYNYL-PYRIDINES PIK3CA, PTEN, PIK3CD PIK3CA 1/4885PIK3CB 7/4885PIK3CG 6/4885
US-20130023533-A1 NEW 5-ALKYNYL-PYRIDINES PIK3CA, MKI67, PIK3CD PIK3CA 1/4885PIK3CB 4/4885PIK3CG 7/4885

“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.