SCHEMBL15035680

SCHEMBL15035680

C=C(c1cc2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc2n(Cc2cnsc2S(=O)(=O)CCN(C)C)c1=O)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 2/20 0.44
CDK4 P11802 9/20 0.43
CCND1 P24385 9/20 0.43
CCND2 P30279 6/20 0.43
CCND3 P30281 6/20 0.43
CCNT1 O60563 2/20 0.43
CDK9 P50750 2/20 0.43
PAK1 Q13153 3/20 0.42
PKN1 Q16512 3/20 0.42
PAK4 O96013 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 4/20 0.42
CCNA2 P20248 4/20 0.42
CDK2 P24941 4/20 0.42
CCNE1 P24864 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
SCHEMBL15041340 0.94 CDK4 (0.44) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15035890 0.82 CDK4 (0.48) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15035896 0.76 CDK4 (0.46) CDK4CCND1CCND2CCND3JAK3
SCHEMBL15041423 0.75 CDK4 (0.48) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15034815 0.75 WEE1 (0.47) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15034922 0.74 WEE1 (0.45) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15035034 0.74 WEE1 (0.48) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15035915 0.73 CDK4 (0.35) CDK4CCND1CCND2CCND3CCNT1
SCHEMBL15035813 0.73 WEE1 (0.45) WEE1CDK4CCND1CCND2CCND3
SCHEMBL15035645 0.73 TNK2 (0.42) CDK4CCND1FGFR1CCNA2CDK2

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

“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.