SCHEMBL2114724

SCHEMBL2114724

Cc1ccc(Nc2ncc(CCCCN(C)C)c(N)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
CDK2 P24941 3/20 0.40
CCNA2 P20248 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NOS3 P29474 1/20 0.39
NOS1 P29475 1/20 0.39
NOS2 P35228 1/20 0.39
KDR P35968 4/20 0.39
CDK1 P06493 3/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
AURKA O14965 3/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
JAK2 O60674 1/20 0.38
PDGFRB P09619 1/20 0.37
PLK1 P53350 1/20 0.37
PLK3 Q9H4B4 1/20 0.37

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
SCHEMBL2111997 0.96 RAB9A (0.45) RAB9ACDK2CCNA2CDK5CDK5R1
SCHEMBL2114974 0.91 RAB9A (0.47) RAB9ACDK2CCNA2CDK5CDK5R1
SCHEMBL2113730 0.89 NPC1 (0.49) RAB9ACDK2KDRAURKANPC1
SCHEMBL2115008 0.89 HRH3 (0.46) KDRCDK1KCNH2SCN5ASCN9A
SCHEMBL2114842 0.87 STK17A (0.47) RAB9ANOS3NOS1NOS2KDR
SCHEMBL2117157 0.85 NPC1 (0.50) RAB9ACDK2KDRCDK1KCNH2
SCHEMBL2113639 0.84 RAB9A (0.42) RAB9ANOS3NOS1NOS2KDR
SCHEMBL2114722 0.84 MEN1 (0.44) RAB9ANOS3NOS1NOS2KDR
SCHEMBL2115181 0.83 STK17A (0.48) RAB9AKDRMAPTNPC1JAK2
SCHEMBL5520429 0.82 AURKA (0.47) RAB9ACDK2CCNA2CDK5CDK5R1

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 RAB9A 2884/4885CDK2 69/4885CCNA2 855/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG RAB9A 2884/4885CDK2 69/4885CCNA2 855/4885

“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.