SCHEMBL15035926

SCHEMBL15035926

CN1CCCC(c2ccc(Nc3ncc4cc(Br)c(=O)n(Cc5ccccc5[S+](C)[O-])c4n3)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 1/20 0.45
CDK4 P11802 6/20 0.44
CCND1 P24385 6/20 0.44
CCNA2 P20248 3/20 0.44
CDK2 P24941 3/20 0.44
JAK3 P52333 2/20 0.42
MAP4K1 Q92918 2/20 0.40
TNK2 Q07912 4/20 0.40
CCND2 P30279 3/20 0.40
CCND3 P30281 3/20 0.40
FGFR1 P11362 2/20 0.40
FGFR2 P21802 2/20 0.40
FGFR4 P22455 2/20 0.40
FGFR3 P22607 2/20 0.40
CCNA1 P78396 1/20 0.40
PAK4 O96013 1/20 0.39
PKN1 Q16512 1/20 0.39
ACVR1 Q04771 1/20 0.39
WEE1 P30291 2/20 0.38
JAK2 O60674 1/20 0.38

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
SCHEMBL15035062 0.86 MAP4K1 (0.48) PTK2CDK4CCND1CCNA2CDK2
SCHEMBL15035714 0.83 CDK4 (0.42) PTK2CDK4CCND1CCNA2CDK2
SCHEMBL15034852 0.83 MAP4K1 (0.43) PTK2CDK4CCND1CCNA2CDK2
SCHEMBL15034958 0.83 JAK3 (0.41) PTK2CDK4CCND1CCNA2CDK2
SCHEMBL15041218 0.81 ACVR1 (0.44) PTK2CDK4CCND1CCNA2CDK2
SCHEMBL15041614 0.78 JAK2 (0.41) PTK2CDK4CCND1CCNA2CDK2
SCHEMBL15035855 0.77 CDK4 (0.41) CDK4CCND1CCNA2CDK2JAK3
SCHEMBL15035674 0.76 CDK4 (0.37) CDK4CCND1CCNA2CDK2JAK3
SCHEMBL15035736 0.76 JAK3 (0.39) PTK2CDK4CCND1CCNA2CDK2
SCHEMBL15036283 0.75 PTK2 (0.45) PTK2CDK4CCND1CCNA2CDK2

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 PTK2 166/4885CDK4 441/4885CCND1 4422/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTK2 12/4885CDK4 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.