SCHEMBL960646

SCHEMBL960646

O=C(Oc1cccc(-c2nc(N3CCOCC3)c3sc(CN4CCNCC4)cc3n2)c1)C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.57
PIK3CD O00329 15/20 0.55
PIK3CB P42338 10/20 0.55
PIK3CG P48736 10/20 0.55

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
Trifluoroacetic Acid SCHEMBL960643 0.86 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL959704 0.83 PIK3CA (0.80) PIK3CAPIK3CDPIK3CBPIK3CG
Hydrochloric Acid SCHEMBL1497317 0.82 PIK3CA (0.79) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL960919 0.76 PIK3CA (0.87) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL964649 0.75 PIK3CA (0.86) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1181251 0.75 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL964018 0.75 PIK3CA (0.70) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12166287 0.75 PIK3CA (0.59) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL959193 0.74 PIK3CA (0.71) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1181569 0.74 PIK3CA (0.73) PIK3CAPIK3CDPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7872003-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2011-01-18 US claimed
US-20080207609-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 US claimed
US-7872003-B2 Pharmaceutical compounds F. HOFFMANN-LA ROCHE AG (CH) 2011-01-18 US disclosed
US-20080207609-A1 Pharmaceutical compounds PLRAMED LIMITED (GB) 2008-08-28 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-20080207609-A1 Pharmaceutical compounds PIK3CA, JAK2, PIK3R1 PIK3CA 1/4885PIK3CD 12/4885PIK3CB 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.