SCHEMBL15280220

SCHEMBL15280220

CN(C)CCS(=O)(=O)n1nccc1Cn1c(=O)c(C(=O)N(C)C)cc2cnc(Nc3ccc(C4CN(C)CCS4)cc3)nc21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.37
CDK4 P11802 4/20 0.35
CCND1 P24385 4/20 0.35
CDK9 P50750 2/20 0.35
CCNT1 O60563 1/20 0.35
CDK2 P24941 2/20 0.34
CDK1 P06493 1/20 0.34
AXL P30530 1/20 0.33
FGFR1 P11362 1/20 0.33
CCNA2 P20248 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR4 P22455 1/20 0.33
FGFR3 P22607 1/20 0.33
SRC P12931 1/20 0.33
PAK4 O96013 1/20 0.33
PKN1 Q16512 1/20 0.33

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
SCHEMBL15277140 0.93 JAK3 (0.35) JAK3CDK4CCND1CDK2FGFR1
SCHEMBL15041400 0.91 JAK3 (0.36) JAK3CDK4CCND1CDK9CCNT1
SCHEMBL15035696 0.85 JAK3 (0.35) JAK3CDK4CCND1CDK9CCNT1
SCHEMBL15041412 0.82 JAK3 (0.38) JAK3CDK4CCND1CDK9CCNT1
SCHEMBL15041437 0.80 JAK3 (0.37) JAK3CDK4CCND1CDK9CCNT1
SCHEMBL15041184 0.80 CDK4 (0.36) JAK3CDK4CCND1CDK9CCNT1
SCHEMBL15041431 0.79 CDK4 (0.36) JAK3CDK4CCND1CDK9CCNT1
SCHEMBL15041759 0.77 CDK4 (0.36) JAK3CDK4CCND1CDK9CCNT1
SCHEMBL15041456 0.76 CDK4 (0.38) JAK3CDK4CCND1CDK9CCNT1
SCHEMBL15035818 0.75 JAK3 (0.37) JAK3CDK4CCND1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.