SCHEMBL2115299

SCHEMBL2115299

CN(C)CCNc1nc(N)ncc1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.55
ADORA1 P30542 4/20 0.52
ADORA2A P29274 1/20 0.52
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.45
HRH3 Q9Y5N1 1/20 0.43
HRH4 Q9H3N8 2/20 0.42
FGFR2 P21802 1/20 0.42
KDR P35968 1/20 0.42
STK4 Q13043 2/20 0.42
STK3 Q13188 2/20 0.42
HSD17B10 Q99714 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.40
LRRK2 Q5S007 1/20 0.40
USP7 Q93009 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
SCHEMBL2115771 0.93 DHFR (0.53) DHFRADORA1ADORA2AKDM4EALDH1A1
SCHEMBL2112549 0.93 DHFR (0.53) DHFRADORA1ADORA2AKDM4EALDH1A1
SCHEMBL5531148 0.84 DHFR (0.51) DHFRADORA1ADORA2ATP53HRH4
SCHEMBL2116809 0.84 DHFR (0.51) DHFRADORA1ADORA2AKDM4EALDH1A1
SCHEMBL2113937 0.84 DHFR (0.55) DHFRADORA1ADORA2AHRH3HRH4
SCHEMBL4153350 0.83 DHFR (0.58) DHFRADORA1ADORA2AHRH3HRH4
SCHEMBL2114718 0.78 DHFR (0.52) DHFRADORA1ADORA2AKDM4ETP53
SCHEMBL2116830 0.78 STK17A (0.41) DHFRKDM4EPOLB
SCHEMBL4101836 0.78 FGFR1 (0.52) DHFRADORA1ADORA2AHRH4FGFR2
SCHEMBL4118866 0.77 DHFR (0.50) DHFRADORA1ADORA2ATP53HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US claimed
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
EP-2032543-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2009-03-11 EP disclosed
WO-2007146977-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 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-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG DHFR 1219/4885ADORA1 236/4885ADORA2A 274/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG DHFR 1219/4885ADORA1 236/4885ADORA2A 274/4885

“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.