SCHEMBL15035830

SCHEMBL15035830

CN1CCC(Nc2ccc(Nc3ncc4cc(C5CCCCN5C)c(=O)n(Cc5cnncc5S(=O)(=O)C5CCCC5)c4n3)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.37
FGFR4 P22455 3/20 0.36
CCND1 P24385 7/20 0.35
CDK2 P24941 6/20 0.35
CDK4 P11802 5/20 0.35
FGFR1 P11362 3/20 0.35
CCNA2 P20248 3/20 0.35
FGFR2 P21802 2/20 0.35
FGFR3 P22607 2/20 0.35
JAK2 O60674 2/20 0.35
BRD4 O60885 2/20 0.35
CCNE1 P24864 4/20 0.34
CDK6 Q00534 4/20 0.34
CCNT1 O60563 2/20 0.34
CDK9 P50750 2/20 0.34
PIK3CD O00329 1/20 0.34
PRKAB2 O43741 1/20 0.34
NUAK1 O60285 1/20 0.34
ABL1 P00519 1/20 0.34
FYN P06241 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
SCHEMBL15035059 0.82 BRAF (0.36) JAK3FGFR4CCND1CDK2CDK4
SCHEMBL15034846 0.81 TNK2 (0.37) JAK3CCND1CDK2CDK4FGFR1
SCHEMBL15034955 0.80 JAK3 (0.37) JAK3CCND1CDK2CDK4FGFR1
SCHEMBL15035709 0.80 JAK3 (0.37) JAK3FGFR4CCND1CDK2CDK4
SCHEMBL15277171 0.79 JAK3 (0.33) JAK3FGFR4CCND1CDK2CDK4
SCHEMBL15041403 0.77 CDK2 (0.41) JAK3FGFR4CCND1CDK2CDK4
SCHEMBL15035690 0.77 CDK4 (0.42) JAK3FGFR4CCND1CDK2CDK4
SCHEMBL15035471 0.73 CDK4 (0.43) FGFR4CCND1CDK2CDK4FGFR1
SCHEMBL15035578 0.73 CDK4 (0.39) FGFR4CCND1CDK2CDK4FGFR1
SCHEMBL15035373 0.72 CDK4 (0.39) FGFR4CCND1CDK2CDK4FGFR1

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 JAK3 525/4885FGFR4 2162/4885CCND1 4422/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK3 1901/4885FGFR4 1949/4885CCND1 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.