SCHEMBL15035751

SCHEMBL15035751

CCN(CC)c1cc2cnc(Nc3ccc(NC4CCN(C)C4)cc3)nc2n(Cc2scnc2S(=O)(=O)c2ccccc2)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 6/20 0.37
NOD2 Q9HC29 6/20 0.37
ACVR1 Q04771 5/20 0.37
MAPK1 P28482 1/20 0.36
PLK2 Q9NYY3 1/20 0.36
WEE1 P30291 1/20 0.35
JAK3 P52333 2/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CCND2 P30279 2/20 0.35
CCND3 P30281 2/20 0.35
FGFR4 P22455 2/20 0.35
FGFR1 P11362 3/20 0.35
JAK2 O60674 1/20 0.35
BRD4 O60885 1/20 0.35
CCNB2 O95067 1/20 0.35
CCNE2 O96020 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNA2 P20248 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
SCHEMBL15034919 0.81 CDK4 (0.37) WEE1JAK3CDK4CCND1CCND2
SCHEMBL15035675 0.79 CCND1 (0.35) WEE1JAK3CDK4CCND1CCND2
SCHEMBL15035910 0.79 PAK1 (0.38) WEE1JAK3CDK4CCND1CCND2
SCHEMBL15035029 0.75 CDK4 (0.37) MAPK1WEE1JAK3CDK4CCND1
SCHEMBL15035541 0.74 CDK4 (0.38) RIPK2NOD2ACVR1MAPK1WEE1
SCHEMBL15034812 0.74 PAK4 (0.37) WEE1JAK3CDK4CCND1CCND2
SCHEMBL15035437 0.74 CDK4 (0.40) CDK4CCND1CCND2CCND3FGFR4
SCHEMBL15035803 0.73 RIPK2 (0.39) RIPK2NOD2ACVR1MAPK1WEE1
SCHEMBL15035820 0.73 JAK3 (0.38) RIPK2NOD2ACVR1JAK3CDK4
SCHEMBL15036126 0.72 TNK2 (0.45) CDK4CCND1CCND2CCND3

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.