SCHEMBL15035689

SCHEMBL15035689

COCC[S+]([O-])c1ccc(Cn2c(=O)c(-c3ncsc3C)cc3cnc(Nc4ccc(C5CCNC5)cc4)nc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 4/20 0.39
NOD2 Q9HC29 4/20 0.39
FGFR1 P11362 5/20 0.38
FGFR4 P22455 5/20 0.38
KDR P35968 1/20 0.38
PAK4 O96013 1/20 0.37
PKN1 Q16512 1/20 0.37
ACVR1 Q04771 3/20 0.37
CSF1R P07333 1/20 0.36
JAK2 O60674 2/20 0.35
BRD4 O60885 2/20 0.35
JAK1 P23458 1/20 0.35
BRD2 P25440 1/20 0.35
JAK3 P52333 1/20 0.35
BRD3 Q15059 1/20 0.35
BRDT Q58F21 1/20 0.35
CDK4 P11802 5/20 0.35
CCND1 P24385 5/20 0.35
FGFR2 P21802 4/20 0.35
FGFR3 P22607 4/20 0.35

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
SCHEMBL15035740 0.80 RIPK2 (0.43) RIPK2NOD2FGFR1PAK4PKN1
SCHEMBL15035829 0.80 CDK4 (0.35) RIPK2NOD2FGFR1FGFR4KDR
SCHEMBL15034932 0.79 PAK4 (0.42) FGFR1FGFR4KDRPAK4PKN1
SCHEMBL15035902 0.79 JAK2 (0.37) FGFR1PAK4PKN1JAK2BRD4
SCHEMBL15035037 0.78 PAK4 (0.38) FGFR1FGFR4KDRPAK4PKN1
SCHEMBL15034821 0.77 PAK4 (0.39) FGFR1FGFR4PAK4PKN1JAK2
SCHEMBL15036021 0.76 RIPK2 (0.40) RIPK2NOD2FGFR1FGFR4KDR
SCHEMBL15034844 0.76 FGFR1 (0.35) FGFR1FGFR4PAK4PKN1JAK2
SCHEMBL15237005 0.75 JAK2 (0.36) FGFR1FGFR4KDRPAK4PKN1
SCHEMBL15041826 0.75 JAK2 (0.46) FGFR1FGFR4KDRPAK4PKN1

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 RIPK2 1162/4885NOD2 4034/4885FGFR1 2209/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 RIPK2 971/4885NOD2 4628/4885FGFR1 1919/4885

“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.