SCHEMBL2531932

SCHEMBL2531932

CNC(=O)c1ccc2nc(-n3ccnc3)nc(N3CCOCC3)c2n1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CD38 P28907 11/20 0.45
MTOR P42345 4/20 0.43
PIK3CA P42336 5/20 0.42
PIK3CG P48736 3/20 0.42
PIK3CD O00329 2/20 0.42
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
PIK3CB P42338 1/20 0.39
NAPEPLD Q6IQ20 1/20 0.38
PIK3R1 P27986 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
SCHEMBL1711693 0.90 CD38 (0.41) CD38MTORPIK3CAPIK3CGPIK3CD
SCHEMBL2536578 0.88 CD38 (0.41) CD38MTORPIK3CAPIK3CGPIK3CD
SCHEMBL2533306 0.88 PIK3CA (0.42) CD38MTORPIK3CAPIK3CGPIK3CD
SCHEMBL2533298 0.88 PIK3CA (0.52) CD38MTORPIK3CAPIK3CGPIK3CD
SCHEMBL2531283 0.86 PIK3CA (0.40) CD38MTORPIK3CAPIK3CGPIK3CD
SCHEMBL2535022 0.82 KDM4E (0.40) CD38PIK3CAPIK3CGPIK3CDRAF1
SCHEMBL2535618 0.79 PIK3CD (0.48) CD38MTORPIK3CAPIK3CGPIK3CD
SCHEMBL2532696 0.78 CD38 (0.39) CD38PIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL2528796 0.77 PIK3CA (0.37) CD38MTORPIK3CAPIK3CGPIK3CD
SCHEMBL2531943 0.77 TSHR (0.37) CD38MTORPIK3CAPIK3CGPIK3CD

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 CD38 1818/4885MTOR 42/4885PIK3CA 1/4885

“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.