SCHEMBL2114805

SCHEMBL2114805

CN(C)CCCCc1cnc(Nc2c(Cl)cccc2Cl)nc1N

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 2/20 0.46
SLC6A4 P31645 2/20 0.38
WEE1 P30291 1/20 0.37
KCNH2 Q12809 1/20 0.37
FGFR1 P11362 2/20 0.36
CDK1 P06493 4/20 0.36
KDR P35968 4/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
MBTD1 Q05BQ5 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CXCL8 P10145 1/20 0.35

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
SCHEMBL2113867 0.96 TNK2 (0.46) TNK2SLC6A4WEE1KCNH2FGFR1
SCHEMBL2113337 0.92 TNK2 (0.44) TNK2WEE1KCNH2CDK1KDR
SCHEMBL2113363 0.88 LMNA (0.47) TNK2SLC6A4WEE1KCNH2FGFR1
SCHEMBL2113295 0.87 IGF1R (0.43) TNK2HDAC3HDAC1HDAC2HDAC6
SCHEMBL2113941 0.87 TNK2 (0.45) TNK2FGFR1HDAC6MBTD1L3MBTL3
SCHEMBL2114137 0.86 CDK9 (0.43) TNK2KDRMBTD1L3MBTL3L3MBTL1
SCHEMBL2114726 0.84 LMNA (0.48) TNK2SLC6A4WEE1KCNH2FGFR1
SCHEMBL2113595 0.84 IGF1R (0.44) TNK2SLC6A4FGFR1KDRHDAC3
SCHEMBL2115297 0.83 TNK2 (0.45) TNK2FGFR1HDAC6MBTD1L3MBTL3
SCHEMBL2115008 0.82 HRH3 (0.46) KCNH2CDK1KDR

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 195/4885SLC6A4 3535/4885WEE1 962/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG TNK2 195/4885SLC6A4 3535/4885WEE1 962/4885

“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.