SCHEMBL15041835

SCHEMBL15041835

CS(=O)(=O)c1cccnc1Cn1c(=O)c(Oc2ccccc2F)cc2cnc(Nc3ccc(C4CCCNC4)cc3)nc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTK2 Q05397 2/20 0.42
MAPK14 Q16539 6/20 0.40
MAPK8 P45983 6/20 0.40
JAK2 O60674 2/20 0.39
BRD4 O60885 2/20 0.39
JAK1 P23458 1/20 0.37
BRD2 P25440 1/20 0.37
JAK3 P52333 1/20 0.37
BRD3 Q15059 1/20 0.37
BRDT Q58F21 1/20 0.37
CDK4 P11802 1/20 0.36
CDK6 Q00534 1/20 0.36
WEE1 P30291 1/20 0.36

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
SCHEMBL15035811 0.93 PTK2 (0.41) PTK2MAPK14MAPK8JAK2BRD4
SCHEMBL15041225 0.84 MAPK14 (0.43) PTK2MAPK14MAPK8CDK4
SCHEMBL15041396 0.83 MAPK14 (0.40) PTK2MAPK14MAPK8
SCHEMBL15041361 0.82 MAPK14 (0.38) PTK2MAPK14MAPK8CDK4
SCHEMBL15041413 0.80 MAPK14 (0.39) PTK2MAPK14MAPK8CDK4
SCHEMBL15041774 0.79 MAPK14 (0.41) MAPK14MAPK8CDK4
SCHEMBL15041376 0.78 MAPK14 (0.36) PTK2MAPK14MAPK8CDK4
SCHEMBL15041428 0.78 MAPK14 (0.43) MAPK14MAPK8JAK2JAK1JAK3
SCHEMBL15041830 0.78 RIPK2 (0.45) PTK2MAPK14MAPK8CDK4
SCHEMBL15034930 0.77 PTK2 (0.38) PTK2MAPK14MAPK8JAK2BRD4

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 PTK2 166/4885MAPK14 111/4885MAPK8 8/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 PTK2 12/4885MAPK14 382/4885MAPK8 493/4885

“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.