SCHEMBL2533306

SCHEMBL2533306

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

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.42
CD38 P28907 7/20 0.41
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
PIK3CD O00329 1/20 0.38
PIK3CG P48736 1/20 0.38
CHEK1 O14757 1/20 0.38
MTOR P42345 4/20 0.37
PIK3R1 P27986 4/20 0.37
KDM4E B2RXH2 1/20 0.37
LRRK2 Q5S007 1/20 0.37

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
SCHEMBL2533298 0.92 PIK3CA (0.52) PIK3CACD38HTTLMNAPOLB
SCHEMBL2531283 0.88 PIK3CA (0.40) PIK3CACD38LMNAHSD17B10PIK3CD
SCHEMBL2531932 0.88 CD38 (0.45) PIK3CACD38PIK3CDPIK3CGMTOR
SCHEMBL2536578 0.88 CD38 (0.41) PIK3CACD38HTTPIK3CDPIK3CG
SCHEMBL1711693 0.85 CD38 (0.41) PIK3CACD38PIK3CDPIK3CGMTOR
SCHEMBL2535022 0.83 KDM4E (0.40) PIK3CACD38HTTLMNAPOLB
SCHEMBL2535618 0.83 PIK3CD (0.48) PIK3CACD38PIK3CDPIK3CGMTOR
SCHEMBL2536719 0.79 PIK3CA (0.57) PIK3CAPIK3CDPIK3CGMTORPIK3R1
SCHEMBL2532696 0.79 CD38 (0.39) PIK3CACD38HTTLMNAPOLB
SCHEMBL2528796 0.78 PIK3CA (0.37) PIK3CACD38HTTLMNAPOLB

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 1/4885CD38 1818/4885HTT 3933/4885

“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.