SCHEMBL1711396

SCHEMBL1711396

c1cnc2cnc(N3CCOCC3)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
PIK3CA P42336 4/20 0.49
MTOR P42345 2/20 0.49
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 4/20 0.49
GLA P06280 3/20 0.49
HPGD P15428 3/20 0.49
GAA P10253 2/20 0.49
PIK3CB P42338 2/20 0.47
CYP1A2 P05177 4/20 0.46
CYP3A4 P08684 2/20 0.46
CASP1 P29466 2/20 0.46
CASP7 P55210 2/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
USP2 O75604 2/20 0.46
PIK3CD O00329 2/20 0.46
PIK3R1 P27986 1/20 0.46
AOC3 Q16853 3/20 0.46

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
SCHEMBL4516949 0.85 HTR3A (0.47) ALDH1A1KDM4EHSD17B10GLAHPGD
SCHEMBL19445200 0.84 L3MBTL1 (0.47) POLBALDH1A1KDM4EHSD17B10GLA
SCHEMBL10721643 0.81 ALDH1A1 (0.54) ALDH1A1KDM4EHSD17B10GLAHPGD
SCHEMBL29460463 0.81 HTR3A (0.67) POLBPIK3CAMTORALDH1A1KDM4E
SCHEMBL2420211 0.81 HTR3A (0.67) POLBPIK3CAMTORALDH1A1KDM4E
SCHEMBL1711587 0.79 CDC7 (0.41) PIK3CAMTORPIK3R1
SCHEMBL30313619 0.78 PIK3CA (0.52) POLBPIK3CAMTORALDH1A1KDM4E
SCHEMBL15645517 0.75 AOC3 (0.51) PIK3CAALDH1A1KDM4EPIK3CBPIK3CD
SCHEMBL1711590 0.75 PIK3CA (0.58) POLBPIK3CAMTORALDH1A1KDM4E
SCHEMBL28052708 0.74 HTR3A (0.57) POLBALDH1A1KDM4EHSD17B10GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396322-B9 2-Morpholino-pyrido[3,2-d]pyrimidines MERCK SERONO SA (CH) 2016-09-14 EP 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-2396322-B1 2-Morpholino-pyrido[3,2-d]pyrimidines MERCK SERONO SA (CH) 2016-02-03 EP disclosed
CN-102388041-B 2-morpholino-pyrido[3,2-d]pyrimidines MERCK SERONO SA 2014-12-24 CN disclosed
US-8609666-B2 2-morpholino-pyrido[3,2-D]pyrimidines MERCK SERONO SA (CH) 2013-12-17 US disclosed
CN-102388041-A 2-morpholino-pyrido[3,2-d]pyrimidines MERCK SERONO SA 2012-03-21 CN 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 POLB 242/4885PIK3CA 1/4885MTOR 28/4885
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES PIK3CA, PIK3CD, PIK3CG POLB 203/4885PIK3CA 1/4885MTOR 42/4885

“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.