SCHEMBL2115369

SCHEMBL2115369

CN(C)CCCc1cnc(Nc2ccc(F)cc2F)nc1N

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
MPO P05164 1/20 0.39
SLC6A4 P31645 1/20 0.39
PDGFRB P09619 1/20 0.39
KDR P35968 1/20 0.39
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
ZAP70 P43403 1/20 0.38
NOS1 P29475 4/20 0.37
CSF1R P07333 2/20 0.37
NOS3 P29474 1/20 0.35
NOS2 P35228 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL2115133 0.97 POLB (0.40) POLBMPOSLC6A4PDGFRBKDR
SCHEMBL2114095 0.93 POLB (0.41) POLBMPOZAP70CSF1RHRH3
SCHEMBL2114966 0.91 DHFR (0.41) MPOSLC6A4PDGFRBKDRPLK1
SCHEMBL2115041 0.88 DHFR (0.40) MPOSLC6A4PDGFRBKDRPLK1
SCHEMBL2113341 0.86 TAAR1 (0.40) POLBPDGFRBKDRPLK1PLK3
SCHEMBL2114730 0.84 DHFR (0.42) MPOPDGFRBKDRPLK1PLK3
SCHEMBL2117157 0.84 NPC1 (0.50) PDGFRBKDRPLK1PLK3
SCHEMBL2115239 0.83 TAAR1 (0.40) POLB
SCHEMBL5535224 0.83 POLB (0.43) POLBZAP70
SCHEMBL2113372 0.82 NOS1 (0.37) POLBPDGFRBKDRPLK1PLK3

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 4 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
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 POLB 2589/4885MPO 4799/4885SLC6A4 3535/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG POLB 2589/4885MPO 4799/4885SLC6A4 3535/4885

“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.