SCHEMBL2114966

SCHEMBL2114966

CN(C)CCCc1cnc(Nc2cc(F)ccc2F)nc1N

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.41
PLK1 P53350 2/20 0.40
PDGFRB P09619 1/20 0.40
KDR P35968 1/20 0.40
PLK3 Q9H4B4 1/20 0.40
NOS1 P29475 4/20 0.39
MPO P05164 1/20 0.39
SLC6A4 P31645 1/20 0.39
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35

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
SCHEMBL2115041 0.97 DHFR (0.40) DHFRPLK1PDGFRBKDRPLK3
SCHEMBL2114730 0.93 DHFR (0.42) DHFRPLK1PDGFRBKDRPLK3
SCHEMBL2115369 0.91 POLB (0.40) PLK1PDGFRBKDRPLK3NOS1
SCHEMBL2115133 0.88 POLB (0.40) PLK1PDGFRBKDRPLK3MPO
SCHEMBL2113341 0.86 TAAR1 (0.40) PLK1PDGFRBKDRPLK3NOS1
SCHEMBL2114095 0.84 POLB (0.41) DHFRMPO
SCHEMBL2117157 0.84 NPC1 (0.50) PLK1PDGFRBKDRPLK3
SCHEMBL2115239 0.83 TAAR1 (0.40)
SCHEMBL5519624 0.83 DHFR (0.39) DHFR
SCHEMBL2113372 0.82 NOS1 (0.37) PLK1PDGFRBKDRPLK3NOS1

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 1219/4885PLK1 644/4885PDGFRB 796/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG DHFR 1219/4885PLK1 644/4885PDGFRB 796/4885

“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.