SCHEMBL15035931

SCHEMBL15035931

C#Cc1cc2cnc(Nc3ccc(C4=CCNCC4)cc3)nc2n(Cc2occc2[S+]([O-])C(C)C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 5/20 0.36
CDK6 Q00534 3/20 0.36
JAK3 P52333 1/20 0.33
WEE1 P30291 10/20 0.32
CCNA2 P20248 2/20 0.32
CCND1 P24385 2/20 0.32
CDK2 P24941 2/20 0.32
PKMYT1 Q99640 1/20 0.32
RIPK2 O43353 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
SCHEMBL15041640 0.93 CDK4 (0.36) CDK4CDK6JAK3WEE1CCNA2
SCHEMBL15036493 0.80 CDK4 (0.39) CDK4CDK6JAK3CCNA2CCND1
SCHEMBL15035073 0.79 CDK4 (0.39) CDK4CDK6JAK3CCNA2CCND1
SCHEMBL15035843 0.78 CDK4 (0.38) CDK4CDK6JAK3WEE1PKMYT1
SCHEMBL15041732 0.76 FGFR1 (0.39) CDK4CDK6JAK3WEE1CCNA2
SCHEMBL15034962 0.75 CDK4 (0.36) CDK4CDK6JAK3WEE1CCNA2
SCHEMBL15036315 0.75 FGFR1 (0.40) CDK4CDK6WEE1CCNA2CCND1
SCHEMBL15034855 0.73 CDK4 (0.37) CDK4CDK6JAK3WEE1CCNA2
SCHEMBL15036288 0.73 CDK4 (0.39) CDK4CDK6CCNA2CCND1CDK2
SCHEMBL15035723 0.73 CDK4 (0.39) CDK4CDK6JAK3CCNA2CCND1

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 2 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-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 441/4885CDK6 411/4885JAK3 525/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CDK6 435/4885JAK3 1901/4885

“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.