SCHEMBL2116809

SCHEMBL2116809

CCN(CC)CCCNc1nc(N)ncc1-c1cccc(Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
HPGD P15428 1/20 0.50
HSD17B10 Q99714 1/20 0.50
FGFR1 P11362 9/20 0.49
ADORA1 P30542 4/20 0.48
ADORA2A P29274 1/20 0.48
KDR P35968 2/20 0.46
MAPK1 P28482 1/20 0.45
SLC2A1 P11166 1/20 0.44
STK4 Q13043 1/20 0.44
STK3 Q13188 1/20 0.44
LRRK2 Q5S007 1/20 0.44
POLB P06746 1/20 0.43
TP53 P04637 1/20 0.41
SRC P12931 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
SCHEMBL2115771 0.89 DHFR (0.53) DHFRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2112549 0.87 DHFR (0.53) DHFRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4149309 0.87 SLC2A1 (0.53) FGFR1KDRSLC2A1POLB
SCHEMBL2113937 0.84 DHFR (0.55) DHFRADORA1ADORA2ASTK4STK3
SCHEMBL2115299 0.84 DHFR (0.55) DHFRALDH1A1KDM4EHPGDHSD17B10
SCHEMBL4153350 0.84 DHFR (0.58) DHFRADORA1ADORA2ASTK4STK3
SCHEMBL2112984 0.80 SLC2A1 (0.44) KDM4EHSD17B10FGFR1SLC2A1POLB
SCHEMBL5531148 0.79 DHFR (0.51) DHFRADORA1ADORA2ASTK4STK3
SCHEMBL4101836 0.78 FGFR1 (0.52) DHFRFGFR1ADORA1ADORA2AKDR
SCHEMBL4118866 0.78 DHFR (0.50) DHFRFGFR1ADORA1ADORA2AKDR

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
EP-2032543-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES Boehringer Ingelheim International GmbH (DE) 2009-03-11 EP claimed
WO-2007146977-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-21 WO claimed
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
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 1219/4885ALDH1A1 3759/4885KDM4E 841/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG DHFR 1219/4885ALDH1A1 3759/4885KDM4E 841/4885

“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.