SCHEMBL3607385

SCHEMBL3607385

CN(Cc1cccnc1)Cc1nc(-c2cc(C(F)(F)F)cc3[nH]ccc23)cc(N2CCOCC2)n1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.45
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
ATR Q13535 8/20 0.38
PIK3CD O00329 3/20 0.38
MTOR P42345 3/20 0.38
PIK3CB P42338 2/20 0.38
PIK3CG P48736 2/20 0.38
PRKDC P78527 1/20 0.38
ATRIP Q8WXE1 2/20 0.37
NAPEPLD Q6IQ20 1/20 0.37
CACNA1H O95180 1/20 0.35

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
SCHEMBL3600404 0.90 PIK3CA (0.47) PIK3CAATRMTORPRKDCNAPEPLD
SCHEMBL3607287 0.85 PIK3CA (0.45) PIK3CAATRMTORPRKDC
SCHEMBL3602059 0.85 PIK3CA (0.44) PIK3CAATRMTORPRKDC
SCHEMBL3596640 0.85 ATR (0.50) PIK3CAATRMTORPIK3CBPIK3CG
SCHEMBL3607383 0.84 PIK3CA (0.40) PIK3CARAF1BRAFATRPIK3CD
SCHEMBL1026861 0.82 PIK3CA (0.69) PIK3CARAF1BRAFPIK3CBPIK3CG
SCHEMBL3598933 0.82 PIK3CA (0.47) PIK3CAATRPIK3CDMTORPIK3CB
SCHEMBL3596951 0.78 ATR (0.53) PIK3CAATRPIK3CDMTORPIK3CB
SCHEMBL3596477 0.78 ATR (0.61) PIK3CAATRPIK3CDMTORPIK3CB
SCHEMBL13141323 0.78 ATR (0.49) PIK3CAATRPIK3CDMTORPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US claimed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP claimed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO claimed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
US-20100256143-A1 PHARMACEUTICAL COMPOUNDS BAKER STEWART JAMES 2010-10-07 US disclosed
EP-2146981-A1 PHARMACEUTICAL COMPOUNDS F. Hoffmann-Roche AG (CH) 2010-01-27 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO 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-20100256143-A1 PHARMACEUTICAL COMPOUNDS PIK3CA, PIK3CD, JAK2 PIK3CA 1/4885RAF1 105/4885BRAF 52/4885

“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.