SCHEMBL3600404

SCHEMBL3600404

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.47
ATR Q13535 13/20 0.46
MTOR P42345 1/20 0.39
PRKDC P78527 1/20 0.39
PDCD1 Q15116 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
TDO2 P48775 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.38

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
SCHEMBL3607385 0.90 PIK3CA (0.45) PIK3CAATRMTORPRKDCNAPEPLD
SCHEMBL3596951 0.88 ATR (0.53) PIK3CAATRMTORPRKDCPDCD1
SCHEMBL3607287 0.88 PIK3CA (0.45) PIK3CAATRMTORPRKDC
SCHEMBL13119567 0.87 PIK3CA (0.49) PIK3CAATR
SCHEMBL3596640 0.87 ATR (0.50) PIK3CAATRMTORPRKDCNAPEPLD
SCHEMBL3602059 0.87 PIK3CA (0.44) PIK3CAATRMTORPRKDC
SCHEMBL3598933 0.85 PIK3CA (0.47) PIK3CAATRMTORPRKDCNAPEPLD
SCHEMBL1025702 0.84 PIK3CA (0.49) PIK3CAATRPRKDCTDO2
SCHEMBL1029698 0.84 PIK3CA (0.60) PIK3CAATR
SCHEMBL1027000 0.83 PIK3CA (0.53) PIK3CAATRTDO2

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-2144906-A1 HETEROCYCLES AS OREXIN ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-01-20 EP disclosed
WO-2008125833-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2008-10-23 WO disclosed
WO-2008122513-A1 HETEROCYCLES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-10-16 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 1/4885ATR 957/4885MTOR 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.