SCHEMBL993592

SCHEMBL993592

O=C1CN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CCN1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 14/20 0.62
PIK3CA P42336 11/20 0.48
PIK3R1 P27986 3/20 0.48
PIK3CB P42338 4/20 0.47
PIK3CG P48736 4/20 0.47
MTOR P42345 1/20 0.43

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
SCHEMBL189736 0.87 PIK3CA (0.53) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
Hydrochloric Acid SCHEMBL30151144 0.86 PIK3CA (0.53) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
Hydrochloric Acid SCHEMBL1182606 0.86 PIK3CA (0.53) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL5254354 0.86 PIK3CD (0.49) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1088049 0.84 PIK3CA (0.58) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL994059 0.82 PIK3CA (0.55) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL3622005 0.82 PIK3CA (0.56) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL994336 0.81 PIK3CD (0.60) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL1088829 0.81 PIK3CD (0.53) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG
SCHEMBL994371 0.81 PIK3CA (0.51) PIK3CDPIK3CAPIK3R1PIK3CBPIK3CG

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 PIK3CD 2/4885PIK3CA 1/4885PIK3R1 16/4885

“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.