SCHEMBL15035873

SCHEMBL15035873

CCN(CC)c1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2nnn(C)c2[S+]([O-])c2nccs2)c1=O

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.34
CCND1 P24385 2/20 0.34
CCND2 P30279 2/20 0.34
CCND3 P30281 2/20 0.34
CDK6 Q00534 3/20 0.34
PAK1 Q13153 3/20 0.33
PAK3 O75914 2/20 0.33
PAK2 Q13177 2/20 0.33
PKN1 Q16512 2/20 0.33
RIPK2 O43353 6/20 0.32
NOD2 Q9HC29 6/20 0.32
ACVR1 Q04771 5/20 0.32
WEE1 P30291 1/20 0.31
PAK4 O96013 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
SCHEMBL15035655 0.78 RIPK2 (0.35) CDK4CCND1CCND2CCND3CDK6
SCHEMBL15035733 0.77 CDK4 (0.39) CDK4CCND1CCND2CCND3CDK6
SCHEMBL15034896 0.73 CDK4 (0.41) CDK4CCND1CCND2CCND3CDK6
SCHEMBL15035771 0.73 CDK4 (0.35) CDK4CCND1CCND2CCND3PAK1
SCHEMBL15035020 0.73 CDK4 (0.40) CDK4CCND1CCND2CCND3CDK6
SCHEMBL15034787 0.71 CDK4 (0.39) CDK4CCND1CCND2CCND3CDK6
SCHEMBL15035965 0.70 RIPK2 (0.39) CDK4CDK6PAK1PAK3PAK2
SCHEMBL15034962 0.69 CDK4 (0.36) CDK4CCND1CCND2CCND3CDK6
SCHEMBL15041769 0.69 CDK4 (0.38) CDK4CCND1CDK6PAK1PAK3
SCHEMBL15041653 0.69 EGFR (0.40) CDK4CDK6PAK1PAK3PAK2

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 CDK4 441/4885CCND1 4422/4885CCND2 4414/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885CCND2 2332/4885

“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.