SCHEMBL15035773

SCHEMBL15035773

COCCS(=O)(=O)c1cn(C)nc1Cn1c(=O)c(C2=C(C)CCC2)cc2cnc(Nc3ccc(N(C)C4CCCNC4)cc3)nc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 6/20 0.34
NOD2 Q9HC29 6/20 0.34
ACVR1 Q04771 5/20 0.34
CDK4 P11802 5/20 0.34
FGFR1 P11362 4/20 0.33
FGFR2 P21802 4/20 0.33
FGFR4 P22455 4/20 0.33
FGFR3 P22607 4/20 0.33
CCND1 P24385 4/20 0.33
CCNA2 P20248 3/20 0.33
CDK2 P24941 3/20 0.33
AXL P30530 1/20 0.32
TNK2 Q07912 4/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL15036145 0.80 CDK4 (0.34) RIPK2NOD2ACVR1CDK4FGFR1
SCHEMBL15034858 0.80 CDK4 (0.37) CDK4FGFR1FGFR2FGFR4FGFR3
SCHEMBL15034969 0.78 CDK4 (0.37) CDK4FGFR1FGFR2FGFR4FGFR3
SCHEMBL15035852 0.78 TNK2 (0.36) RIPK2NOD2ACVR1CDK4FGFR1
SCHEMBL15035871 0.78 CSF1R (0.35) RIPK2NOD2ACVR1CDK4FGFR1
SCHEMBL15041701 0.73 SRC (0.38) RIPK2NOD2ACVR1CDK4FGFR1
SCHEMBL15035335 0.72 CDK4 (0.39) CDK4FGFR1FGFR2FGFR4FGFR3
SCHEMBL15035400 0.71 CDK4 (0.36) CDK4FGFR1FGFR2FGFR4FGFR3
SCHEMBL16309176 0.71 TNK2 (0.40) RIPK2NOD2ACVR1CDK4FGFR1
SCHEMBL15036027 0.70 CDK9 (0.36) CDK4FGFR1FGFR2FGFR4FGFR3

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 4034/4885ACVR1 4860/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 RIPK2 971/4885NOD2 4628/4885ACVR1 4752/4885

“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.