SCHEMBL2532701

SCHEMBL2532701

COCCN(C)c1cc(-c2nnc(C)o2)nc2c(N3CCOCC3)nc(-n3ccnc3)nc12

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.41
RAF1 P04049 2/20 0.32
BRAF P15056 2/20 0.32
MTOR P42345 1/20 0.31
FGFR1 P11362 1/20 0.31
KDR P35968 1/20 0.31
EPHB4 P54760 1/20 0.31

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
SCHEMBL12220428 0.88 PIK3CA (0.33) PIK3CARAF1BRAF
SCHEMBL12220414 0.87 PIK3CA (0.41) PIK3CARAF1BRAFMTORFGFR1
SCHEMBL2532704 0.83 PIK3CA (0.36) PIK3CARAF1BRAF
SCHEMBL2531294 0.81 RAF1 (0.33) RAF1BRAFMTOR
SCHEMBL2527338 0.81 RAF1 (0.33) PIK3CARAF1BRAFMTOR
SCHEMBL2532487 0.81 PIK3CA (0.61) PIK3CA
SCHEMBL2532352 0.81 PIK3CA (0.53) PIK3CA
SCHEMBL12220431 0.80 RAF1 (0.33) RAF1BRAFMTOR
SCHEMBL2531291 0.79 RAF1 (0.32) RAF1BRAF
SCHEMBL1724804 0.77 PIK3CA (0.35) PIK3CARAF1BRAFMTOR

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-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US disclosed
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US disclosed
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US disclosed
WO-2010037765-A2 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2010-04-08 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-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885RAF1 141/4885BRAF 41/4885

“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.