SCHEMBL15041347

SCHEMBL15041347

CN1CCC(c2ccc(Nc3ncc4cc(N(C)c5ccccc5)c(=O)n(Cc5cnccc5[S+]([O-])c5nccs5)c4n3)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 2/20 0.36
MAP4K1 Q92918 6/20 0.36
WEE1 P30291 2/20 0.35
JAK2 O60674 2/20 0.35
BRD4 O60885 2/20 0.35
PAK4 O96013 1/20 0.35
PKN1 Q16512 1/20 0.35
KCNH2 Q12809 1/20 0.33
TNK2 Q07912 1/20 0.33
STAT6 P42226 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
PTK2 Q05397 1/20 0.33

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 0.95 JAK3 (0.39) JAK3MAP4K1WEE1JAK2BRD4
SCHEMBL15035669 0.86 FGFR1 (0.36) JAK3WEE1TNK2CDK4CCNA2
SCHEMBL15035687 0.82 JAK3 (0.39) JAK3MAP4K1WEE1JAK2BRD4
SCHEMBL15034827 0.81 JAK3 (0.38) JAK3MAP4K1WEE1JAK2BRD4
SCHEMBL15041414 0.78 JAK2 (0.39) JAK3MAP4K1WEE1JAK2BRD4
SCHEMBL15035866 0.77 JAK2 (0.40) JAK3MAP4K1WEE1JAK2BRD4
SCHEMBL15035038 0.77 JAK3 (0.39) JAK3MAP4K1WEE1JAK2BRD4
SCHEMBL15277138 0.76 JAK2 (0.41) JAK3MAP4K1WEE1JAK2BRD4
SCHEMBL15035897 0.76 JAK2 (0.40) JAK3MAP4K1WEE1JAK2BRD4
SCHEMBL15034931 0.75 JAK3 (0.39) JAK3MAP4K1WEE1JAK2BRD4

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 2 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-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 525/4885MAP4K1 22/4885WEE1 983/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK3 1901/4885MAP4K1 84/4885WEE1 545/4885

“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.