SCHEMBL2115133

SCHEMBL2115133

CN(C)CCCCc1cnc(Nc2ccc(F)cc2F)nc1N

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
ZAP70 P43403 1/20 0.37
CSF1R P07333 2/20 0.36
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
MPO P05164 1/20 0.36
SLC6A4 P31645 1/20 0.36
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
SCHEMBL2115369 0.97 POLB (0.40) POLBZAP70CSF1RPDGFRBKDR
SCHEMBL2114095 0.92 POLB (0.41) POLBZAP70CSF1RMPOHRH3
SCHEMBL2115041 0.91 DHFR (0.40) PDGFRBKDRPLK1PLK3MPO
SCHEMBL2114966 0.88 DHFR (0.41) PDGFRBKDRPLK1PLK3MPO
SCHEMBL2115239 0.87 TAAR1 (0.40) POLB
SCHEMBL2113730 0.84 NPC1 (0.49) PDGFRBKDRPLK1PLK3
SCHEMBL2113341 0.83 TAAR1 (0.40) POLBPDGFRBKDRPLK1PLK3
SCHEMBL2114730 0.83 DHFR (0.42) PDGFRBKDRPLK1PLK3MPO
SCHEMBL2112982 0.83 JAK2 (0.35) POLBPDGFRBKDRPLK1PLK3
SCHEMBL2114912 0.83 KMT2A (0.44) 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG POLB 2589/4885ZAP70 254/4885CSF1R 4073/4885

“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.