SCHEMBL2531939

SCHEMBL2531939

Cc1ccc2nc(Cl)nc(N3CCOCC3)c2n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.50
POLB P06746 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 4/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
HSD17B10 Q99714 1/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAPK1 P28482 1/20 0.39
PIK3R1 P27986 1/20 0.39

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
SCHEMBL16166910 0.85 SMN1; SMN2 (0.49) SMN1; SMN2POLBKMT2AMEN1NPC1
SCHEMBL11845730 0.83 ALDH1A1 (0.40) SMN1; SMN2POLBKMT2AMEN1RAB9A
SCHEMBL12370236 0.82 SMN1; SMN2 (0.47) SMN1; SMN2POLBKMT2AMEN1NPC1
SCHEMBL11848248 0.80 PIK3CA (0.54) KMT2AKDM4EL3MBTL1ATMTDP1
SCHEMBL2275660 0.80 PIK3CD (0.53) SMN1; SMN2POLBKDM4EL3MBTL1TDP1
SCHEMBL2271077 0.80 SMN1; SMN2 (0.44) SMN1; SMN2POLBKMT2AMEN1KDM4E
SCHEMBL2271401 0.80 SMN1; SMN2 (0.44) SMN1; SMN2POLBKMT2AMEN1NPC1
SCHEMBL2272865 0.80 SMN1; SMN2 (0.44) SMN1; SMN2POLBKMT2AMEN1KDM4E
SCHEMBL11862881 0.79 ALDH1A1 (0.48) SMN1; SMN2POLBKMT2AMEN1NPC1
SCHEMBL2532738 0.79 PIK3CA (0.59) SMN1; SMN2KMT2AMEN1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563540-B2 Pyrido[3,2-d]pyrimidine PI3K delta inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-10-22 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
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
US-3939268-A 2,4-Diamino substituted pyridol(3,2-d)pyrimidine as antithrombotic agents BOEHRINGER INGELHEIM GMBH (DT) 1976-02-17 US 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 SMN1; SMN2 486/4885POLB 203/4885KMT2A 2164/4885

“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.