SCHEMBL15035808

SCHEMBL15035808

CN1CCOC(c2ccc(Nc3ncc4cc(Br)c(=O)n(Cc5cccn5S(=O)(=O)C5CCCC5)c4n3)cc2)C1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 3/20 0.43
CDK4 P11802 5/20 0.42
CCND1 P24385 5/20 0.42
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
TNK2 Q07912 10/20 0.39
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR3 P22607 2/20 0.39
CCND2 P30279 2/20 0.39
CCND3 P30281 2/20 0.39
CCNA1 P78396 1/20 0.39
JAK2 O60674 2/20 0.38
BRD4 O60885 2/20 0.38
PAK4 O96013 1/20 0.37
PKN1 Q16512 1/20 0.37
JAK3 P52333 1/20 0.36
SRC P12931 1/20 0.36

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
SCHEMBL15034805 0.79 CDK4 (0.38) FGFR4CDK4CCND1CCNA2CDK2
SCHEMBL15034918 0.78 CDK4 (0.41) FGFR4CDK4CCND1CCNA2CDK2
SCHEMBL15041344 0.78 CDK4 (0.37) FGFR4CDK4CCND1CCNA2CDK2
SCHEMBL15035674 0.78 CDK4 (0.37) FGFR4CDK4CCND1CCNA2CDK2
SCHEMBL15035030 0.77 CDK4 (0.38) FGFR4CDK4CCND1CCNA2CDK2
SCHEMBL15277148 0.73 TNK2 (0.38) CDK4CCND1CCNA2CDK2TNK2
SCHEMBL15041398 0.73 TNK2 (0.36) FGFR4CDK4CCND1CCNA2CDK2
SCHEMBL15035865 0.71
SCHEMBL15041829 0.71 CDK4 (0.46) FGFR4CDK4CCND1CCNA2CDK2
SCHEMBL15618079 0.71 CDK1 (0.38) CDK4CCND1CCNA2CDK2TNK2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 US disclosed
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER AFRAXIS, INC. (US) 2013-06-20 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-20130252967-A1 8-(SULFONYLBENZYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK3, PAK6 FGFR4 2162/4885CDK4 441/4885CCND1 4422/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 FGFR4 1949/4885CDK4 404/4885CCND1 2153/4885

“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.