SCHEMBL2115771

SCHEMBL2115771

CN(C)CCCNc1nc(N)ncc1-c1cccc(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.53
ADORA1 P30542 4/20 0.50
ADORA2A P29274 1/20 0.50
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
HPGD P15428 1/20 0.48
HSD17B10 Q99714 1/20 0.48
STK4 Q13043 1/20 0.45
STK3 Q13188 1/20 0.45
LRRK2 Q5S007 1/20 0.45
KDR P35968 1/20 0.45
RAD52 P43351 2/20 0.44
POLB P06746 2/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
RET P07949 1/20 0.42
KIF5B P33176 1/20 0.42
CALCA P06881 1/20 0.41
HRH4 Q9H3N8 1/20 0.41
FERMT2 Q96AC1 1/20 0.41

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
SCHEMBL2112549 0.98 DHFR (0.53) DHFRADORA1ADORA2AKDM4EALDH1A1
SCHEMBL2115299 0.93 DHFR (0.55) DHFRADORA1ADORA2AKDM4EALDH1A1
SCHEMBL2116809 0.89 DHFR (0.51) DHFRADORA1ADORA2AKDM4EALDH1A1
SCHEMBL2113937 0.86 DHFR (0.55) DHFRADORA1ADORA2ASTK4STK3
SCHEMBL4153350 0.86 DHFR (0.58) DHFRADORA1ADORA2ASTK4STK3
SCHEMBL2114718 0.85 DHFR (0.52) DHFRADORA1ADORA2AKDM4EPOLB
SCHEMBL2116830 0.85 STK17A (0.41) DHFRKDM4EPOLBMAPK1MAPT
SCHEMBL2117070 0.83 TP53 (0.48) DHFRADORA1KDM4ERAD52POLB
SCHEMBL2117058 0.83 FLT3 (0.44) POLBRETKIF5BCALCA
SCHEMBL5531148 0.83 DHFR (0.51) DHFRADORA1ADORA2ASTK4STK3

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
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 US claimed
US-8354407-B2 2-anilino-4-(heterocyclic)amino-pyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-8158641-B2 2-anilino-4-aminoalkyleneaminopyrimidines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-17 US disclosed
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-10 US disclosed
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-16 US disclosed
EP-2054392-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA Boehringer Ingelheim International GmbH (DE) 2009-05-06 EP disclosed
WO-2007146981-A2 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES AS INHIBITORS OF PROTEIN KINASE C-ALPHA BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO disclosed
US-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines DJUNG JANE F 2007-12-20 US disclosed
US-20070293525-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-20 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 (4 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-20070293494-A1 2-Anilino-4-(Heterocyclic) Amino-Pyrimidines PRKCA, PRKCG, PRKCH DHFR 1013/4885ADORA1 303/4885ADORA2A 341/4885
US-20090227586-A1 2-ANILINO-4-(HETEROCYCLIC)AMINO-PYRIMIDINES PRKCA, PRKCG, PRKCH DHFR 1013/4885ADORA1 303/4885ADORA2A 341/4885
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.