SCHEMBL2117157

SCHEMBL2117157

CN(C)CCCc1cnc(Nc2ccc(F)cc2)nc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
STK17A Q9UEE5 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
AURKA O14965 1/20 0.44
KDR P35968 2/20 0.42
PDGFRB P09619 1/20 0.42
PLK1 P53350 1/20 0.42
PLK3 Q9H4B4 1/20 0.42
STK17B O94768 1/20 0.42
CCNT1 O60563 2/20 0.42
CCNE1 P24864 2/20 0.42
CDK2 P24941 2/20 0.42
CDK9 P50750 2/20 0.42
GAA P10253 1/20 0.40
SYK P43405 1/20 0.40
CDK4 P11802 1/20 0.40
CCND1 P24385 1/20 0.40
CCND2 P30279 1/20 0.40
CCND3 P30281 1/20 0.40

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
SCHEMBL2113730 0.96 NPC1 (0.49) NPC1RAB9ASTK17ASMN1; SMN2AURKA
SCHEMBL2113390 0.93 NPC1 (0.52) NPC1RAB9ASTK17ASMN1; SMN2AURKA
SCHEMBL2111997 0.89 RAB9A (0.45) NPC1RAB9AAURKAKDRPDGFRB
SCHEMBL2115697 0.86 KMT2A (0.45) NPC1RAB9ASMN1; SMN2KDRPDGFRB
SCHEMBL2114724 0.85 RAB9A (0.44) NPC1RAB9AAURKAKDRPDGFRB
SCHEMBL2115008 0.84 HRH3 (0.46) STK17AKDRPDGFRBPLK1PLK3
SCHEMBL2114966 0.84 DHFR (0.41) KDRPDGFRBPLK1PLK3
SCHEMBL2115369 0.84 POLB (0.40) KDRPDGFRBPLK1PLK3
SCHEMBL2115181 0.83 STK17A (0.48) NPC1RAB9ASTK17ASMN1; SMN2KDR
SCHEMBL2114912 0.83 KMT2A (0.44) NPC1RAB9ASMN1; SMN2KDRPDGFRB

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
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
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
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 NPC1 3660/4885RAB9A 2884/4885STK17A 651/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG NPC1 3660/4885RAB9A 2884/4885STK17A 651/4885

“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.