SCHEMBL2114730

SCHEMBL2114730

CN(C)CCc1cnc(Nc2cc(F)ccc2F)nc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHFR P00374 5/20 0.42
TAAR1 Q96RJ0 2/20 0.38
MPO P05164 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CDK2 P24941 2/20 0.35
CDK9 P50750 2/20 0.35
CCNT1 O60563 1/20 0.35
CCNE1 P24864 1/20 0.35
BCDIN3D Q7Z5W3 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
PLK1 P53350 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
AXL P30530 1/20 0.34
TYRO3 Q06418 1/20 0.34
MERTK Q12866 1/20 0.34
JAK2 O60674 2/20 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 0.93 DHFR (0.41) DHFRMPOPDGFRBKDRPLK1
SCHEMBL2115041 0.92 DHFR (0.40) DHFRMPONPC1RAB9APDGFRB
SCHEMBL2114095 0.91 POLB (0.41) DHFRTAAR1MPONPC1RAB9A
SCHEMBL2114796 0.86 TAAR1 (0.49) TAAR1NPC1RAB9ACDK2PLK1
SCHEMBL5519624 0.84 DHFR (0.39) DHFRNPC1RAB9ACDK2CDK9
SCHEMBL2115369 0.84 POLB (0.40) MPOPDGFRBKDRPLK1PLK3
SCHEMBL2115133 0.83 POLB (0.40) MPOPDGFRBKDRPLK1PLK3
SCHEMBL2113390 0.83 NPC1 (0.52) TAAR1NPC1RAB9ACDK2CDK9
SCHEMBL2113279 0.81 TAAR1 (0.43) TAAR1CDK2CDK9CCNT1CCNE1
SCHEMBL2113629 0.81 KMT2A (0.46) TAAR1NPC1RAB9ACDK2CDK9

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 1219/4885TAAR1 3765/4885MPO 4799/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG DHFR 1219/4885TAAR1 3765/4885MPO 4799/4885

“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.