SCHEMBL994318

SCHEMBL994318

FC1CCCN(C(c2cc3nc(Cl)nc(N4CCOCC4)c3s2)C2CCN2)C1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.40
PIK3R1 P27986 14/20 0.40
MTOR P42345 8/20 0.40
SMN1; SMN2 Q16637 1/20 0.34
PIK3CD O00329 2/20 0.34
PIK3CB P42338 2/20 0.34
PIK3CG P48736 2/20 0.34
PRKDC P78527 1/20 0.32
ATR Q13535 1/20 0.31
ATRIP Q8WXE1 1/20 0.31

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
SCHEMBL996675 0.89 PIK3CA (0.41) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL995499 0.81 PIK3CD (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1863872 0.71 PIK3CA (0.47) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL994876 0.70 PIK3CD (0.52) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL1181489 0.70 PIK3CA (0.65) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL994928 0.69 PIK3CD (0.57) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1284510 0.69 PIK3CA (0.50) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL2154852 0.68 PIK3CA (0.49) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL1864899 0.68 PIK3CA (0.51) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD
SCHEMBL4068062 0.67 PIK3CA (0.44) PIK3CAPIK3R1MTORSMN1; SMN2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2205610-B1 THIENOPYRIMIDIENE DERIVATIVES AS PI3K INHIBITORS HOFFMANN LA ROCHE (CH) 2013-11-20 EP disclosed
US-8293735-B2 Thienopyrimidine derivatives as P13K inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2012-10-23 US disclosed
US-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2011-01-27 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-20110021496-A1 THIENOPYRIMIDINE DERIVATIVES AS P13K INHIBITORS PIK3CA, PIK3CD, PIK3CB PIK3CA 1/4885PIK3R1 16/4885MTOR 37/4885

“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.