SCHEMBL2114137

SCHEMBL2114137

CN(C)CCCCc1cnc(Nc2c(F)cccc2F)nc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 2/20 0.43
CCNT1 O60563 1/20 0.43
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CCNA1 P78396 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
JAK2 O60674 3/20 0.37
JAK3 P52333 3/20 0.37
JAK1 P23458 2/20 0.37
PDGFRB P09619 1/20 0.36
KDR P35968 1/20 0.36
PLK1 P53350 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
MBTD1 Q05BQ5 1/20 0.35
L3MBTL3 Q96JM7 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOS1 P29475 1/20 0.34
TNK2 Q07912 1/20 0.34
SYK P43405 1/20 0.33
AOC3 Q16853 1/20 0.33

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
SCHEMBL2112548 0.96 CDK9 (0.44) CDK9CCNT1CCNA2CDK2CCNA1
SCHEMBL2117595 0.92 TAAR1 (0.47) CDK9CCNT1CCNA2CDK2CCNA1
SCHEMBL2112982 0.88 JAK2 (0.35) CDK9CCNT1TAAR1JAK2JAK3
SCHEMBL2115239 0.87 TAAR1 (0.40) CDK2TAAR1MBTD1L3MBTL3L3MBTL1
SCHEMBL2113941 0.87 TNK2 (0.45) MBTD1L3MBTL3L3MBTL1NOS1TNK2
SCHEMBL2114805 0.86 TNK2 (0.46) KDRMBTD1L3MBTL3L3MBTL1TNK2
SCHEMBL2113372 0.84 NOS1 (0.37) CDK9CCNT1TAAR1JAK2JAK3
SCHEMBL2113341 0.84 TAAR1 (0.40) CDK2TAAR1PDGFRBKDRPLK1
SCHEMBL2115297 0.83 TNK2 (0.45) MBTD1L3MBTL3L3MBTL1NOS1TNK2
SCHEMBL2114912 0.83 KMT2A (0.44) CDK9CCNT1CDK2TAAR1PDGFRB

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 CDK9 267/4885CCNT1 935/4885CCNA2 855/4885
US-20090181995-A1 2-ANILINO-4-AMINOALKYLENEAMINOPYRIMIDINES PRKCA, PRKCH, PRKCG CDK9 267/4885CCNT1 935/4885CCNA2 855/4885

“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.