SCHEMBL15035904

SCHEMBL15035904

C=C(c1cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc2n(Cc2ccoc2S(=O)(=O)C(C)C)c1=O)N(C)C

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.36
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
WEE1 P30291 1/20 0.33
PAK4 O96013 1/20 0.33
PKN1 Q16512 1/20 0.33
PTK2 Q05397 1/20 0.33
MET P08581 1/20 0.32
ALK Q9UM73 1/20 0.32

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
SCHEMBL15041437 0.93 JAK3 (0.37) JAK3CDK4CCND1CCND2CCND3
SCHEMBL15277140 0.80 JAK3 (0.35) JAK3CDK4CCND1WEE1PAK4
SCHEMBL15035818 0.80 JAK3 (0.37) JAK3CDK4CCND1CCND2CCND3
SCHEMBL15035045 0.79 JAK3 (0.35) JAK3CDK4CCND1CCND2CCND3
SCHEMBL15034944 0.79 JAK3 (0.35) JAK3CDK4CCND1CCND2CCND3
SCHEMBL15034830 0.77 WEE1 (0.35) JAK3CDK4CCND1CCND2CCND3
SCHEMBL15280220 0.73 JAK3 (0.37) JAK3CDK4CCND1PAK4PKN1
SCHEMBL15041412 0.73 JAK3 (0.38) JAK3CDK4CCND1
SCHEMBL15277131 0.72 CDK4 (0.37) JAK3CDK4CCND1WEE1PTK2
SCHEMBL15041759 0.72 CDK4 (0.36) JAK3CDK4CCND1CCND3WEE1

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 JAK3 525/4885CDK4 441/4885CCND1 4422/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK3 1901/4885CDK4 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.