SCHEMBL2395926

SCHEMBL2395926

Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC(C)(C)CO[Si](C)(C)C(C)(C)C)cc(S(=O)(=O)N3CCCN(C(=O)OC(C)(C)C)CC3)c2c1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.39
CYP2C9 P11712 4/20 0.39
RIPK2 O43353 1/20 0.39
MAPK13 O15264 9/20 0.37
HDAC4 P56524 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
SCHEMBL1724948 0.94 MAPK14 (0.39) MAPK14CYP2C9MAPK13
SCHEMBL1725054 0.90 MAPK14 (0.40) MAPK14CYP2C9RIPK2MAPK13HDAC4
SCHEMBL2395459 0.86 MAPK14 (0.41) MAPK14CYP2C9RIPK2MAPK13HDAC4
SCHEMBL2396457 0.86 MAPK14 (0.41) MAPK14CYP2C9RIPK2MAPK13HDAC4
SCHEMBL2390156 0.86 MAPK14 (0.41) MAPK14CYP2C9MAPK13
SCHEMBL2395685 0.86 MAPK14 (0.41) MAPK14CYP2C9MAPK13
SCHEMBL2395591 0.85 MAPK14 (0.40) MAPK14CYP2C9MAPK13
SCHEMBL2394076 0.85 MAPK14 (0.45) MAPK14CYP2C9RIPK2MAPK13
SCHEMBL1724738 0.84 MAPK14 (0.39) MAPK14CYP2C9MAPK13
SCHEMBL2392468 0.83 MAPK14 (0.40) MAPK14CYP2C9MAPK13

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-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-22 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 (1 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-20100099665-A1 ISOQUINOLINONE DERIVATIVES SDHA, NQO1, CYP3A5 MAPK14 3792/4885CYP2C9 98/4885RIPK2 3826/4885

“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.