SCHEMBL15036074

SCHEMBL15036074

COCCS(=O)(=O)n1cnc(-c2cc3cnc(Nc4ccc(NC5CCNC5)cc4)nc3n(CC3CC3)c2=O)c1C

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 3/20 0.38
PAK1 Q13153 2/20 0.38
RIPK2 O43353 3/20 0.37
NOD2 Q9HC29 3/20 0.37
ACVR1 Q04771 2/20 0.37
CCND1 P24385 2/20 0.37
CCNE1 P24864 2/20 0.37
CDK2 P24941 2/20 0.37
CDK6 Q00534 2/20 0.37
TNK2 Q07912 9/20 0.37
PAK2 Q13177 1/20 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
SCHEMBL16310845 0.87 PAK1 (0.39) JAK3PAK1RIPK2NOD2ACVR1
SCHEMBL15041666 0.77 TNK2 (0.40) RIPK2NOD2ACVR1CCNE1CDK2
SCHEMBL13553804 0.75 CDK4 (0.46) PAK1RIPK2NOD2ACVR1CCND1
SCHEMBL15035861 0.74 PAK1 (0.41) PAK1RIPK2NOD2ACVR1TNK2
SCHEMBL15041690 0.74 PAK1 (0.52) PAK1CCND1TNK2PAK2
SCHEMBL15036157 0.74 CDK4 (0.38) CCND1CDK2CDK6
SCHEMBL15035731 0.73 RIPK2 (0.40) PAK1RIPK2NOD2ACVR1TNK2
SCHEMBL14681988 0.73 PAK1 (0.43) PAK1CCND1TNK2PAK2
SCHEMBL16310835 0.73 TNK2 (0.43) JAK3TNK2
SCHEMBL15041454 0.72 CDK4 (0.40) PAK1CDK6TNK2

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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS AFRAXIS, INC. (US) 2013-09-26 US disclosed
US-20130252966-A1 6-(SULFONYLARYL)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-20130252966-A1 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS PAK2, PAK6, PAK3 JAK3 460/4885PAK1 6/4885RIPK2 870/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK3 1901/4885PAK1 4/4885RIPK2 971/4885

“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.