SCHEMBL2114974

SCHEMBL2114974

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

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.47
CDK1 P06493 8/20 0.43
KDR P35968 8/20 0.43
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
KCNH2 Q12809 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN9A Q15858 1/20 0.41
AURKA O14965 3/20 0.40
NPC1 O15118 2/20 0.40
JAK2 O60674 1/20 0.40
MAPT P10636 2/20 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
SCHEMBL2111997 0.92 RAB9A (0.45) RAB9ACDK1KDRCCNA2CDK2
SCHEMBL2114724 0.91 RAB9A (0.44) RAB9ACDK1KDRCCNA2CDK2
SCHEMBL2113390 0.88 NPC1 (0.52) RAB9ACDK1KDRCDK2KCNH2
SCHEMBL2117618 0.86 L3MBTL1 (0.50) RAB9ACDK1KDRNPC1JAK2
SCHEMBL2114995 0.85 AURKA (0.49) RAB9ACDK1CCNA2CDK2CDK5
SCHEMBL5524909 0.83 RAB9A (0.43) RAB9ACDK1KDRCCNA2CDK2
SCHEMBL2115678 0.83 NPC1 (0.46) RAB9AKDRNPC1MAPT
SCHEMBL2114090 0.83 RAB9A (0.44) RAB9ANPC1
SCHEMBL2117157 0.81 NPC1 (0.50) RAB9ACDK1KDRCDK2KCNH2
SCHEMBL2115272 0.81 TNK2 (0.42) CDK1KDRMAPT

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 2884/4885CDK1 173/4885KDR 2773/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG RAB9A 2884/4885CDK1 173/4885KDR 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.