SCHEMBL2115041

SCHEMBL2115041

CN(C)CCCCc1cnc(Nc2cc(F)ccc2F)nc1N

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DHFR P00374 3/20 0.40
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
PLK1 P53350 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
NOS1 P29475 2/20 0.36
MPO P05164 1/20 0.36
SLC6A4 P31645 1/20 0.36
MBTD1 Q05BQ5 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL2114966 0.97 DHFR (0.41) DHFRPDGFRBKDRPLK1PLK3
SCHEMBL2114730 0.92 DHFR (0.42) DHFRPDGFRBKDRPLK1PLK3
SCHEMBL2115133 0.91 POLB (0.40) PDGFRBKDRPLK1PLK3MPO
SCHEMBL2115369 0.88 POLB (0.40) PDGFRBKDRPLK1PLK3NOS1
SCHEMBL2115239 0.87 TAAR1 (0.40) MBTD1L3MBTL3L3MBTL1NPC1RAB9A
SCHEMBL2113730 0.84 NPC1 (0.49) PDGFRBKDRPLK1PLK3NPC1
SCHEMBL2114095 0.83 POLB (0.41) DHFRMPOL3MBTL1NPC1RAB9A
SCHEMBL2113341 0.83 TAAR1 (0.40) PDGFRBKDRPLK1PLK3NOS1
SCHEMBL2112982 0.83 JAK2 (0.35) PDGFRBKDRPLK1PLK3NOS1
SCHEMBL2114912 0.83 KMT2A (0.44) PDGFRBKDRPLK1PLK3L3MBTL1

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 3 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
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 1219/4885PDGFRB 796/4885KDR 2773/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG DHFR 1219/4885PDGFRB 796/4885KDR 2773/4885

“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.