SCHEMBL15041830

SCHEMBL15041830

CN(c1ccc(Nc2ncc3cc(Oc4ccccc4F)c(=O)n(Cc4cccc(S(C)(=O)=O)c4)c3n2)cc1)C1CCCNC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK2 O43353 5/20 0.45
NOD2 Q9HC29 4/20 0.45
ACVR1 Q04771 2/20 0.45
MAPK8 P45983 4/20 0.39
MAPK14 Q16539 5/20 0.39
CDK4 P11802 2/20 0.36
USP2 O75604 3/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C9 P11712 2/20 0.36
TSHR P16473 2/20 0.36
CASP1 P29466 2/20 0.36
CASP7 P55210 2/20 0.36
HIF1A Q16665 2/20 0.36
CYP2D6 P10635 1/20 0.36
CCND1 P24385 1/20 0.35
PTK2 Q05397 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 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
SCHEMBL15041774 0.85 MAPK14 (0.41) MAPK8MAPK14CDK4CCND1MAPK1
SCHEMBL15041629 0.84 MAPK14 (0.38) MAPK8MAPK14CDK4MAPK1
SCHEMBL15041342 0.84 MAPK14 (0.40) MAPK8MAPK14CDK4CCND1PTK2
SCHEMBL15041603 0.82 MAPK14 (0.39) MAPK8MAPK14CDK4CCND1
SCHEMBL15041408 0.82 MAPK8 (0.40) MAPK8MAPK14CDK4CCND1
SCHEMBL15041553 0.78 CDK4 (0.41) MAPK8MAPK14CDK4CCND1
SCHEMBL15041835 0.78 PTK2 (0.42) MAPK8MAPK14CDK4PTK2
SCHEMBL15035023 0.78 CDK4 (0.38) MAPK8CDK4USP2CYP3A4CYP2C9
SCHEMBL15035883 0.77 CDK4 (0.37) MAPK8MAPK14CDK4CCND1PTK2
SCHEMBL15034799 0.77 CDK4 (0.36) MAPK8CDK4CCND1PTK2

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 RIPK2 1162/4885NOD2 4034/4885ACVR1 4860/4885
US-20130158043-A1 PAK INHIBITORS FOR THE TREATMENT OF CANCER PAK5, PAK2, PAK6 RIPK2 971/4885NOD2 4628/4885ACVR1 4752/4885

“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.