SCHEMBL13406366

SCHEMBL13406366

c1cncc(CCNc2cc(N3CCOCC3)nc(-c3cccc4[nH]ccc34)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.58
ATR Q13535 11/20 0.53
MTOR P42345 6/20 0.53
PRKDC P78527 1/20 0.53
PIK3CB P42338 2/20 0.51
PIK3CG P48736 2/20 0.51
PIK3CD O00329 1/20 0.45

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
SCHEMBL13406370 0.91 PIK3CA (0.56) PIK3CAATRMTORPRKDCPIK3CB
SCHEMBL1029257 0.90 PIK3CA (0.56) PIK3CAATRMTORPRKDCPIK3CB
SCHEMBL13800994 0.88 PIK3CA (0.74) PIK3CAATRPIK3CBPIK3CGPIK3CD
SCHEMBL1025284 0.86 PIK3CA (0.52) PIK3CAATRMTORPRKDCPIK3CB
SCHEMBL13220255 0.85 PIK3CA (0.79) PIK3CAATRMTORPIK3CBPIK3CG
SCHEMBL13336861 0.85 PIK3CA (0.79) PIK3CAATRMTORPRKDCPIK3CB
SCHEMBL13406375 0.85 PIK3CA (0.74) PIK3CAATRMTORPIK3CBPIK3CG
SCHEMBL13406364 0.84 PIK3CA (0.57) PIK3CAATRMTORPRKDCPIK3CB
SCHEMBL1309608 0.84 PIK3CA (0.57) PIK3CAMTORPIK3CBPIK3CGPIK3CD
SCHEMBL3608310 0.82 PIK3CA (0.61) PIK3CAATRMTORPRKDCPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-7696204-B2 Pharmaceutical compounds LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2010-04-13 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
US-20090042884-A1 Pharmaceutical Compounds F.HOFFMANN-LA ROCHE AG (CH) 2009-02-12 US disclosed
WO-2007042810-A1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF CANCER LUDWIG INSTITUTE FOR CANCER RESEARCH (CH) 2007-04-19 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-20090042884-A1 Pharmaceutical Compounds PIK3CA, JAK1, PIK3R1 PIK3CA 1/4885ATR 650/4885MTOR 35/4885

“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.