SCHEMBL15035932

SCHEMBL15035932

COCCS(=O)(=O)c1occc1Cn1c(=O)c(C2CC2)cc2cnc(Nc3ccc(C4CCNCC4)cc3)nc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.43
JAK3 P52333 8/20 0.43
BRD4 O60885 4/20 0.43
JAK1 P23458 1/20 0.43
BRD2 P25440 1/20 0.43
BRD3 Q15059 1/20 0.43
BRDT Q58F21 1/20 0.43
FGFR1 P11362 4/20 0.39
FGFR4 P22455 4/20 0.39
KDR P35968 1/20 0.39
WEE1 P30291 1/20 0.38
CSF1R P07333 1/20 0.38
PTK2 Q05397 6/20 0.37
CDK4 P11802 4/20 0.37
CDK6 Q00534 1/20 0.37
FGFR2 P21802 3/20 0.37
FGFR3 P22607 3/20 0.37
CCND1 P24385 3/20 0.37
CCNA2 P20248 2/20 0.37
CDK2 P24941 2/20 0.37

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
SCHEMBL15034994 0.77 JAK2 (0.44) JAK2JAK3BRD4JAK1BRD2
SCHEMBL15035683 0.76 JAK3 (0.38) JAK2JAK3BRD4FGFR1CSF1R
SCHEMBL15034822 0.75 PTK2 (0.40) JAK2JAK3BRD4JAK1BRD2
SCHEMBL15034853 0.75 JAK2 (0.43) JAK2JAK3BRD4JAK1BRD2
SCHEMBL15035760 0.74 JAK2 (0.45) JAK2JAK3BRD4JAK1BRD2
SCHEMBL15035072 0.73 JAK2 (0.42) JAK2JAK3BRD4JAK1BRD2
SCHEMBL15036492 0.73 TNK2 (0.40) JAK2JAK3BRD4JAK1BRD2
SCHEMBL15035880 0.72 PAK3 (0.39) JAK2JAK3BRD4JAK1BRD2
SCHEMBL15041825 0.72 JAK3 (0.38) JAK3FGFR1FGFR4KDRCDK4
SCHEMBL15035648 0.71

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

“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.