SCHEMBL15041364

SCHEMBL15041364

O=c1c(Oc2ccccc2F)cc2cnc(Nc3ccc(OC4CCNCC4)cc3)nc2n1Cc1ccsc1S(=O)(=O)C1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 6/20 0.39
MAPK14 Q16539 6/20 0.38
CDK4 P11802 8/20 0.37
CCND1 P24385 8/20 0.37
CCNA2 P20248 6/20 0.37
CDK2 P24941 6/20 0.37
FGFR1 P11362 4/20 0.36
FGFR2 P21802 4/20 0.36
FGFR4 P22455 4/20 0.36
FGFR3 P22607 4/20 0.36
CCND2 P30279 1/20 0.36
CCND3 P30281 1/20 0.36
CCNA1 P78396 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
SCHEMBL15035707 0.93 CDK4 (0.39) MAPK8CDK4CCND1CCNA2CDK2
SCHEMBL15041203 0.87 MAPK8 (0.43) MAPK8MAPK14CDK4CCND1CCNA2
SCHEMBL15041749 0.83 MAPK8 (0.42) MAPK8MAPK14CDK4CCND1CCNA2
SCHEMBL15035055 0.80 MAPK8 (0.38) MAPK8MAPK14CDK4CCND1CCNA2
SCHEMBL15041428 0.80 MAPK14 (0.43) MAPK8MAPK14
SCHEMBL15035657 0.78 CDK4 (0.48) CDK4CCND1CCNA2CDK2FGFR1
SCHEMBL15041191 0.78 MAPK8 (0.40) MAPK8MAPK14CDK4CCND1CCNA2
SCHEMBL15034842 0.75 MAPK8 (0.38) MAPK8MAPK14CDK4CCND1CCNA2
SCHEMBL15041609 0.74 MAPK8 (0.40) MAPK8MAPK14
SCHEMBL15041580 0.74 MAPK8 (0.43) MAPK8MAPK14CDK4CCND1CCNA2

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 MAPK8 8/4885MAPK14 111/4885CDK4 441/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 MAPK8 493/4885MAPK14 382/4885CDK4 404/4885

“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.