SCHEMBL15035669

SCHEMBL15035669

CN1CCC(Nc2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5ccccc5[S+]([O-])c5nccs5)c4n3)cc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.36
TNK2 Q07912 7/20 0.35
EGFR P00533 2/20 0.35
WEE1 P30291 1/20 0.35
JAK3 P52333 3/20 0.34
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34

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
SCHEMBL15035736 0.91 JAK3 (0.39) TNK2WEE1JAK3CDK4CCND1
SCHEMBL15041347 0.86 JAK3 (0.36) TNK2WEE1JAK3CDK4CCND1
SCHEMBL15034976 0.80 MAPK14 (0.40) FGFR1TNK2EGFRWEE1JAK3
SCHEMBL15277167 0.79 TNK2 (0.39) FGFR1TNK2EGFRJAK3
SCHEMBL15041239 0.77 TNK2 (0.38) TNK2EGFRWEE1JAK3
SCHEMBL15034800 0.75 TNK2 (0.39) FGFR1TNK2EGFRWEE1JAK3
SCHEMBL15034909 0.75 EGFR (0.37) FGFR1TNK2EGFRWEE1JAK3
SCHEMBL15041343 0.75 TNK2 (0.38) FGFR1TNK2EGFRWEE1JAK3
SCHEMBL15035687 0.75 JAK3 (0.39) WEE1JAK3
SCHEMBL15035866 0.74 JAK2 (0.40) TNK2WEE1JAK3

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 FGFR1 2209/4885TNK2 28/4885EGFR 2509/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 FGFR1 1919/4885TNK2 7/4885EGFR 737/4885

“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.