SCHEMBL2115272

SCHEMBL2115272

Cc1cccc(C)c1Nc1ncc(CCN(C)C)c(N)n1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 3/20 0.42
HDAC6 Q9UBN7 1/20 0.39
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR7 P34969 2/20 0.36
CRHR1 P34998 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
CDK1 P06493 1/20 0.34
KDR P35968 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL2115297 0.93 TNK2 (0.45) TNK2HDAC6MAPTKMT2AHTR7
SCHEMBL2113941 0.91 TNK2 (0.45) TNK2HDAC6MAPTKMT2AHTR7
SCHEMBL2113990 0.86 HTT (0.44) TNK2
SCHEMBL2113337 0.86 TNK2 (0.44) TNK2HDAC6TAAR1CDK1KDR
SCHEMBL2117595 0.86 TAAR1 (0.47) JAK1TYK2JAK3TAAR1CDK1
SCHEMBL2114996 0.86 HTT (0.49)
SCHEMBL5529511 0.83 TNK2 (0.35) TNK2HDAC6MAPTKMT2AJAK1
SCHEMBL2114995 0.81 AURKA (0.49) MAPTCDK1
SCHEMBL2114974 0.81 RAB9A (0.47) MAPTCDK1KDR
SCHEMBL2117618 0.80 L3MBTL1 (0.50) MAPTKMT2ATAAR1CDK1KDR

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 TNK2 195/4885HDAC6 3109/4885MAPT 3476/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG TNK2 195/4885HDAC6 3109/4885MAPT 3476/4885

“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.