SCHEMBL15041372

SCHEMBL15041372

CCS(=O)(=O)c1ccccc1Cn1c(=O)c(-c2cncnc2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.57
PAK1 Q13153 3/20 0.54
PKN1 Q16512 2/20 0.54
PAK4 O96013 1/20 0.54
PAK3 O75914 2/20 0.52
PAK2 Q13177 2/20 0.52
CDK4 P11802 4/20 0.51
CCND1 P24385 4/20 0.51
CCND2 P30279 4/20 0.51
CCND3 P30281 4/20 0.51
FGFR4 P22455 4/20 0.50
FGFR1 P11362 1/20 0.50
SRC P12931 1/20 0.50
FGFR2 P21802 1/20 0.50
FGFR3 P22607 1/20 0.50
JAK2 O60674 4/20 0.46
BRD4 O60885 4/20 0.46
TNK2 Q07912 1/20 0.46
JAK1 P23458 1/20 0.46
BRD2 P25440 1/20 0.46

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
SCHEMBL15035635 0.94 WEE1 (0.56) WEE1PAK1PKN1PAK4PAK3
SCHEMBL9988749 0.93 WEE1 (0.59) WEE1PAK1PKN1PAK4PAK3
SCHEMBL15035629 0.88 WEE1 (0.57) WEE1PAK1PKN1PAK4PAK3
SCHEMBL15035634 0.88 WEE1 (0.65) WEE1PAK1PKN1PAK4PAK3
SCHEMBL9988331 0.87 WEE1 (0.54) WEE1PAK1PKN1PAK4CDK4
SCHEMBL15036205 0.85 WEE1 (0.52) WEE1PAK1PKN1PAK4CDK4
SCHEMBL15041336 0.85 CDK4 (0.59) WEE1PAK1PKN1PAK4CDK4
SCHEMBL15035632 0.85 WEE1 (0.54) WEE1PAK1PKN1PAK4CDK4
SCHEMBL9988045 0.84 CDK4 (0.70) PAK1PKN1PAK4CDK4CCND1
SCHEMBL13554056 0.81 WEE1 (0.70) WEE1PAK1PKN1PAK4PAK3

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 3 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

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 WEE1 983/4885PAK1 6/4885PKN1 430/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 WEE1 545/4885PAK1 4/4885PKN1 326/4885

“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.