SCHEMBL1711491

SCHEMBL1711491

c1cnc2c(N3CCOCC3)ncnc2c1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.65
PIK3CA P42336 14/20 0.57
PIK3CD O00329 11/20 0.56
PIK3CG P48736 10/20 0.56
MTOR P42345 4/20 0.55
POLB P06746 1/20 0.53
PRKDC P78527 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49

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
SCHEMBL30821962 0.83 CYP1A2 (0.47) PTK2PRKDCCYP1A2CYP2C9KDM4E
SCHEMBL2276716 0.79 PIK3CA (0.62) PIK3CAPIK3CDPIK3CGMTORPOLB
SCHEMBL25724448 0.79 PIK3CA (0.62) PIK3CAPIK3CDPIK3CGMTORPOLB
SCHEMBL27272553 0.79 PIK3CA (0.62) PIK3CAPIK3CDPIK3CGMTORPOLB
SCHEMBL14843260 0.79 PTK2 (1.00) PTK2PIK3CAPOLBPRKDCCYP1A2
SCHEMBL25719191 0.78 ATR (0.51) PTK2MTOR
SCHEMBL31705145 0.76 PTK2 (0.63) PTK2PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL25719397 0.76 PTK2 (0.63) PTK2PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL25277910 0.76 PIK3CD (0.61) PIK3CAPIK3CDPIK3CGMTOR
SCHEMBL30456000 0.76 PIK3CA (0.58) PIK3CAPIK3CDPIK3CGMTOR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023107592-A1 PYRIDOPYRIMIDINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
EP-2396322-B9 2-Morpholino-pyrido[3,2-d]pyrimidines MERCK SERONO SA (CH) 2016-09-14 EP disclosed
EP-2396322-B1 2-Morpholino-pyrido[3,2-d]pyrimidines MERCK SERONO SA (CH) 2016-02-03 EP disclosed
EP-2563788-B1 NAPHTHRIDINE DERIVATIVES AS PI3K INHIBITORS FOR THE TREATMENT OF CANCER AND IMMUNE-INFLAMMATORY DISEASES KARUS THERAPEUTICS LTD (GB) 2015-08-05 EP disclosed
US-8609666-B2 2-morpholino-pyrido[3,2-D]pyrimidines MERCK SERONO SA (CH) 2013-12-17 US disclosed
EP-2396322-A1 2-MORPHOLINO-PYRIDOÝ3,2-D¨PYRIMIDINES Merck Serono SA (CH) 2011-12-21 EP disclosed
US-20110293564-A1 2-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2011-12-01 US disclosed
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO SA (CH) 2011-10-20 US disclosed
EP-2344490-A2 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES ACTIVE ON PI3K Merck Serono S.A. (CH) 2011-07-20 EP disclosed
WO-2010091996-A1 2-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES MERCK SERONO S.A. (CH) 2010-08-19 WO 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 (2 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-20110293564-A1 2-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES PIK3CA, PIK3CD, PIK3CB PTK2 1228/4885PIK3CA 1/4885PIK3CD 2/4885
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES PIK3CA, PIK3CD, PIK3CG PTK2 953/4885PIK3CA 1/4885PIK3CD 2/4885

“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.