SCHEMBL2113941

SCHEMBL2113941

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 4/20 0.45
HDAC6 Q9UBN7 2/20 0.41
MBTD1 Q05BQ5 1/20 0.38
L3MBTL3 Q96JM7 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EGFR P00533 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 1/20 0.36
PIK3CD O00329 1/20 0.35
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
FGFR1 P11362 1/20 0.34
HTR7 P34969 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 0.96 TNK2 (0.45) TNK2HDAC6MBTD1L3MBTL3L3MBTL1
SCHEMBL2115272 0.91 TNK2 (0.42) TNK2HDAC6MAPTKMT2AHTR7
SCHEMBL2116066 0.87 HTT (0.42) TNK2MBTD1L3MBTL3L3MBTL1EGFR
SCHEMBL2114137 0.87 CDK9 (0.43) TNK2MBTD1L3MBTL3L3MBTL1NOS1
SCHEMBL2114805 0.87 TNK2 (0.46) TNK2HDAC6MBTD1L3MBTL3L3MBTL1
SCHEMBL2116118 0.87 HTT (0.46) TNK2MBTD1L3MBTL3L3MBTL1MAPT
SCHEMBL2116828 0.84 HTT (0.43) TNK2NOS3NOS1MAPTKMT2A
SCHEMBL2113867 0.83 TNK2 (0.46) TNK2HDAC6NOS1FGFR1
SCHEMBL2112548 0.83 CDK9 (0.44) TNK2NOS3NOS1NOS2
SCHEMBL2115703 0.83 HTT (0.47) TNK2MAPTKMT2A

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 5 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
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 TNK2 195/4885HDAC6 3109/4885MBTD1 2789/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG TNK2 195/4885HDAC6 3109/4885MBTD1 2789/4885

“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.