SCHEMBL15041847

SCHEMBL15041847

CN1CCCC(c2ccc(Nc3ncc4cc(C(=O)c5ccccc5)c(=O)n(Cc5occc5[S+]([O-])CC(F)(F)F)c4n3)cc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 4/20 0.42
JAK3 P52333 2/20 0.37
TNK2 Q07912 7/20 0.36
SRC P12931 3/20 0.36
PAK4 O96013 1/20 0.35
PKN1 Q16512 1/20 0.35
STAT6 P42226 1/20 0.35
MAP4K1 Q92918 1/20 0.35
ACVR1 Q04771 1/20 0.34
WEE1 P30291 1/20 0.33
PLK1 P53350 1/20 0.33
FGFR1 P11362 1/20 0.33
CDK4 P11802 1/20 0.33
CCNA2 P20248 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
CCND1 P24385 1/20 0.33
CDK2 P24941 1/20 0.33
JAK2 O60674 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
SCHEMBL15035869 0.94 PTK2 (0.41) PTK2JAK3TNK2SRCPAK4
SCHEMBL15041415 0.78 PTK2 (0.39) PTK2JAK3TNK2SRCPAK4
SCHEMBL15035013 0.76 PTK2 (0.44) PTK2JAK3TNK2SRCPAK4
SCHEMBL15041187 0.76 PTK2 (0.40) PTK2JAK3TNK2SRCPAK4
SCHEMBL15041385 0.76 PTK2 (0.40) PTK2JAK3TNK2SRCPAK4
SCHEMBL15034779 0.75 PTK2 (0.42) PTK2JAK3TNK2SRCPAK4
SCHEMBL15041197 0.75 PTK2 (0.41) PTK2JAK3TNK2SRCPAK4
SCHEMBL15041418 0.75 TNK2 (0.38) JAK3TNK2SRCFGFR1CDK4
SCHEMBL15041744 0.75 PTK2 (0.41) PTK2JAK3TNK2SRCPAK4
SCHEMBL15041409 0.73 CAMK2D (0.37) JAK3TNK2SRCACVR1FGFR1

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 PTK2 166/4885JAK3 525/4885TNK2 28/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTK2 12/4885JAK3 1901/4885TNK2 7/4885

“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.