SCHEMBL2114995

SCHEMBL2114995

Cc1cccc(Nc2ncc(CCN(C)C)c(N)n2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.49
SLC2A1 P11166 1/20 0.47
CDK5 Q00535 2/20 0.46
CDK5R1 Q15078 2/20 0.46
CDK1 P06493 1/20 0.46
CCNB1 P14635 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NOD1 Q9Y239 1/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 1/20 0.44
GRM5 P41594 3/20 0.43
BLM P54132 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43

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
SCHEMBL5520429 0.93 AURKA (0.47) AURKASLC2A1CDK5CDK5R1CDK1
Hydrochloric Acid SCHEMBL2113939 0.92 SLC2A1 (0.47) AURKASLC2A1CDK5CDK5R1CDK1
SCHEMBL2113629 0.87 KMT2A (0.46) CDK2NPC1RAB9AMAPTTP53
SCHEMBL2114974 0.85 RAB9A (0.47) AURKACDK5CDK5R1CDK1CCNA2
SCHEMBL2117618 0.84 L3MBTL1 (0.50) CDK1NPC1RAB9AMAPTTP53
SCHEMBL2115272 0.81 TNK2 (0.42) CDK1MAPT
SCHEMBL2115678 0.81 NPC1 (0.46) NPC1RAB9AMAPTTP53BLM
SCHEMBL2114090 0.81 RAB9A (0.44) NPC1RAB9AL3MBTL1USP2ALDH1A1
SCHEMBL2115697 0.81 KMT2A (0.45) CDK2NPC1RAB9AMAPTTP53
SCHEMBL2116231 0.80 CDK5 (0.48) CDK5CDK5R1ABL1ITK

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 AURKA 204/4885SLC2A1 3307/4885CDK5 95/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG AURKA 204/4885SLC2A1 3307/4885CDK5 95/4885

“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.