SCHEMBL1711587

SCHEMBL1711587

CC1CN(c2ncc3ncccc3n2)CCO1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.41
ACACB O00763 3/20 0.41
FFAR2 O15552 1/20 0.39
LRRK2 Q5S007 9/20 0.38
HTR3A P46098 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
PIK3R1 P27986 2/20 0.37
PIK3CA P42336 2/20 0.37
MTOR P42345 2/20 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
Hydrochloric Acid SCHEMBL11857820 0.80 HTR3A (0.43) HTR3AHRH4
SCHEMBL1711396 0.79 POLB (0.51) PIK3R1PIK3CAMTOR
SCHEMBL28267110 0.79 CHI3L1 (0.41) CDC7ACACBFFAR2LRRK2PIK3CA
SCHEMBL31627720 0.79 CHI3L1 (0.41) CDC7ACACBFFAR2LRRK2PIK3CA
SCHEMBL28265610 0.79 CHI3L1 (0.41) CDC7ACACBFFAR2LRRK2PIK3CA
SCHEMBL30595213 0.76 ACACB (0.40) ACACBLRRK2HTR3AHRH4PIK3R1
SCHEMBL31718061 0.76 CHI3L1 (0.49) CDC7FFAR2LRRK2ADORA2AADORA1
SCHEMBL4516949 0.74 HTR3A (0.47) HTR3AHRH4
SCHEMBL22119365 0.74 ACACB (0.43) ACACBLRRK2
SCHEMBL20606379 0.74 ACACB (0.46) CDC7ACACBLRRK2

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 9 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-B1 2-Morpholino-pyrido[3,2-d]pyrimidines MERCK SERONO SA (CH) 2016-02-03 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 CDC7 1576/4885ACACB 3965/4885FFAR2 1721/4885
US-20110257170-A1 4-MORPHOLINO-PYRIDO[3,2-D]PYRIMIDINES PIK3CA, PIK3CD, PIK3CG CDC7 1085/4885ACACB 4168/4885FFAR2 2355/4885

“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.