SCHEMBL15035649

SCHEMBL15035649

Cc1scnc1-c1cc2cnc(Nc3ccc(OC4CCNC4)cc3)nc2n(Cc2occc2[S+]([O-])c2nccs2)c1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.33
RIPK2 O43353 5/20 0.33
NOD2 Q9HC29 5/20 0.33
ACVR1 Q04771 4/20 0.33
TNK2 Q07912 7/20 0.32
SRC P12931 1/20 0.32
PKN1 Q16512 2/20 0.31
PAK4 O96013 1/20 0.31
PAK3 O75914 1/20 0.31
PAK1 Q13153 1/20 0.31
PAK2 Q13177 1/20 0.31
SCN9A Q15858 1/20 0.31
GCK P35557 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
SCHEMBL15035891 0.86 TNK2 (0.35) RIPK2NOD2ACVR1TNK2SRC
SCHEMBL15035902 0.80 JAK2 (0.37) TNK2PKN1PAK4
SCHEMBL15035742 0.79 RIPK2 (0.37) RIPK2NOD2ACVR1TNK2PKN1
SCHEMBL15034785 0.79 PAK1 (0.36) RIPK2NOD2ACVR1TNK2SRC
SCHEMBL15034892 0.78 FGFR1 (0.35) RIPK2NOD2ACVR1PKN1PAK4
SCHEMBL15035012 0.77 FGFR1 (0.34) RIPK2NOD2ACVR1TNK2SRC
SCHEMBL15035788 0.76 RIPK2 (0.37) RIPK2NOD2ACVR1TNK2SRC
SCHEMBL15035804 0.74 RIPK2 (0.35) RIPK2NOD2ACVR1TNK2SRC
SCHEMBL15041604 0.73 CDK4 (0.33) RIPK2NOD2ACVR1
SCHEMBL15035919 0.72 CDK4 (0.35) RIPK2NOD2ACVR1TNK2SRC

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 PRKCZ 599/4885RIPK2 1162/4885NOD2 4034/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PRKCZ 283/4885RIPK2 971/4885NOD2 4628/4885

“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.