SCHEMBL13469237

SCHEMBL13469237

C=C(C)c1cc(-c2sc(NC(=O)n3ccnc3)nc2C)ccn1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 19/20 0.48
PIK3CD O00329 13/20 0.48
PIK3CB P42338 12/20 0.48
PIK3CG P48736 12/20 0.48
GAK O14976 1/20 0.41
PRKACG P22612 1/20 0.41
PIK3R1 P27986 1/20 0.41
MTOR P42345 1/20 0.41
PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL24023246 0.88 PIK3CA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL1889405 0.86 PIK3CA (0.50) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL571452 0.84 PIK3CA (0.69) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL1885511 0.84 PIK3CD (0.47) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL944398 0.82 PIK3CA (0.61) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL15803547 0.81 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL30227352 0.81 PIK3CA (0.63) PIK3CAPIK3CDPIK3CBPIK3CGGAK
SCHEMBL1882046 0.81 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL2326527 0.80 PIK3CD (0.65) PIK3CAPIK3CDPIK3CBPIK3CGPI4KB
SCHEMBL24023242 0.80 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGGAK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES NOVARTIS AG (CH) 2012-10-18 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-20120263712-A1 PYRROLIDINE-1,2-DICARBOXAMIDE DERIVATIVES PIK3C3, PRKDC, PIK3CD PIK3CA 5/4885PIK3CD 3/4885PIK3CB 14/4885

“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.