SCHEMBL15041340

SCHEMBL15041340

CN(C)CCS(=O)(=O)c1sncc1Cn1c(=O)c(C(=O)C2CC2)cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 9/20 0.44
CCND1 P24385 9/20 0.44
WEE1 P30291 2/20 0.44
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
CCND2 P30279 5/20 0.43
CCND3 P30281 5/20 0.43
PAK4 O96013 2/20 0.42
PAK1 Q13153 2/20 0.42
PKN1 Q16512 2/20 0.42
JAK3 P52333 3/20 0.42
JAK2 O60674 1/20 0.42
EGFR P00533 1/20 0.42
JAK1 P23458 1/20 0.42
TYK2 P29597 1/20 0.42
BTK Q06187 1/20 0.42
FGFR1 P11362 3/20 0.42
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CSF1R P07333 3/20 0.42

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
SCHEMBL15035680 0.94 WEE1 (0.44) CDK4CCND1WEE1CCNT1CDK9
SCHEMBL15041423 0.82 CDK4 (0.48) CDK4CCND1WEE1CCNT1CDK9
SCHEMBL15041180 0.75 WEE1 (0.47) CDK4CCND1WEE1CCNT1CDK9
SCHEMBL15035890 0.75 CDK4 (0.48) CDK4CCND1WEE1CCNT1CDK9
SCHEMBL15280101 0.75 CDK4 (0.48) CDK4CCND1CCND2CCND3JAK3
SCHEMBL15041417 0.74 WEE1 (0.45) CDK4CCND1WEE1CCNT1CDK9
SCHEMBL15237018 0.74 WEE1 (0.47) CDK4CCND1WEE1CCNT1CDK9
SCHEMBL15041254 0.74 WEE1 (0.48) CDK4CCND1WEE1CCNT1CDK9
SCHEMBL15035915 0.73 CDK4 (0.35) CDK4CCND1CCNT1CDK9CCND2
SCHEMBL15041434 0.73 WEE1 (0.45) CDK4CCND1WEE1CCNT1CDK9

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 441/4885CCND1 4422/4885WEE1 983/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 CDK4 404/4885CCND1 2153/4885WEE1 545/4885

“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.