SCHEMBL2113937

SCHEMBL2113937

CNCCCNc1nc(N)ncc1-c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.55
ADORA1 P30542 6/20 0.52
ADORA2A P29274 2/20 0.52
STK4 Q13043 1/20 0.44
STK3 Q13188 1/20 0.44
LRRK2 Q5S007 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
SYK P43405 1/20 0.42
IRAK4 Q9NWZ3 2/20 0.41
IRAK1 P51617 3/20 0.39
USP7 Q93009 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL4153350 0.88 DHFR (0.58) DHFRADORA1ADORA2ASTK4STK3
SCHEMBL2115771 0.86 DHFR (0.53) DHFRADORA1ADORA2ASTK4STK3
SCHEMBL2112549 0.86 DHFR (0.53) DHFRADORA1ADORA2ASTK4STK3
SCHEMBL2116809 0.84 DHFR (0.51) DHFRADORA1ADORA2ASTK4STK3
SCHEMBL2115299 0.84 DHFR (0.55) DHFRADORA1ADORA2ASTK4STK3
SCHEMBL4101836 0.82 FGFR1 (0.52) DHFRADORA1ADORA2AHRH4IRAK4
SCHEMBL4118866 0.81 DHFR (0.50) DHFRADORA1ADORA2AHRH3IRAK4
SCHEMBL4107262 0.81 DHFR (0.50) DHFRADORA1ADORA2ASTK4STK3
SCHEMBL5531148 0.80 DHFR (0.51) DHFRADORA1ADORA2ASTK4STK3
SCHEMBL4100252 0.80 IRAK4 (0.49) DHFRADORA1ADORA2AHRH3IRAK4

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-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
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 (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.