SCHEMBL15035906

SCHEMBL15035906

CC1CNCCN1c1ccc(Nc2ncc3cc(Br)c(=O)n(Cc4ccnn4S(=O)(=O)C4CCCC4)c3n2)cc1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 12/20 0.41
CCND1 P24385 12/20 0.41
CDK2 P24941 11/20 0.41
CCNA2 P20248 9/20 0.41
FGFR1 P11362 6/20 0.41
FGFR2 P21802 6/20 0.41
FGFR4 P22455 6/20 0.41
FGFR3 P22607 6/20 0.41
CCND3 P30281 3/20 0.41
CCND2 P30279 2/20 0.41
CCNA1 P78396 2/20 0.41
PAK3 O75914 1/20 0.41
PAK4 O96013 1/20 0.41
LIMK1 P53667 1/20 0.41
LIMK2 P53671 1/20 0.41
PAK1 Q13153 1/20 0.41
PAK2 Q13177 1/20 0.41
PKN1 Q16512 1/20 0.41
CDK1 P06493 2/20 0.39
CCNB1 P14635 2/20 0.39

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
SCHEMBL15035812 0.83 PAK3 (0.42) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041185 0.82 PAK3 (0.43) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035042 0.81 PAK3 (0.42) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041194 0.81 PAK3 (0.42) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15034831 0.81 PAK3 (0.43) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15041390 0.80 PAK3 (0.40) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15035692 0.80 PAK3 (0.40) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15034939 0.79 PAK3 (0.41) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15242115 0.75 PAK3 (0.40) CDK4CCND1CDK2CCNA2FGFR1
SCHEMBL15036020 0.74 PAK3 (0.50) PAK3PAK4LIMK1LIMK2PAK1

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 CDK4 441/4885CCND1 4422/4885CDK2 211/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885CDK2 183/4885

“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.