SCHEMBL15035841

SCHEMBL15035841

O=c1c(C2CC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc2n1Cc1cncn1S(=O)(=O)c1nccs1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 6/20 0.42
BRD4 O60885 5/20 0.42
JAK3 P52333 2/20 0.42
JAK1 P23458 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
BRDT Q58F21 1/20 0.42
WEE1 P30291 1/20 0.38
FGFR1 P11362 4/20 0.36
FGFR4 P22455 4/20 0.36
CSF1R P07333 2/20 0.36
KDR P35968 1/20 0.36
CDK4 P11802 4/20 0.35
CDK6 Q00534 1/20 0.35
ACVR1 Q04771 1/20 0.35
PTK2 Q05397 3/20 0.35
CCNA2 P20248 3/20 0.35
FGFR2 P21802 3/20 0.35
FGFR3 P22607 3/20 0.35
CCND1 P24385 3/20 0.35

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
SCHEMBL15035760 0.78 JAK2 (0.45) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15034929 0.76 JAK2 (0.39) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15035072 0.76 JAK2 (0.42) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15237019 0.75 JAK2 (0.39) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15034853 0.72 JAK2 (0.43) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15041210 0.72 CDK4 (0.38) FGFR1FGFR4CSF1RCDK4CCNA2
SCHEMBL15035876 0.71 CDK4 (0.46) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15034792 0.71 CDK4 (0.37) JAK2BRD4JAK3JAK1BRD2
SCHEMBL15035892 0.71 BRD4 (0.38) JAK2BRD4JAK3FGFR1CSF1R
SCHEMBL15237035 0.70 PTK2 (0.40) JAK2BRD4JAK3JAK1BRD2

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 4 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
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 JAK2 227/4885BRD4 711/4885JAK3 525/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 JAK2 720/4885BRD4 1003/4885JAK3 1901/4885

“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.