SCHEMBL2396573

SCHEMBL2396573

Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC(C)(C)CO)cc(CN3CCN[C@@H](CO)C3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.44
CYP2C9 P11712 5/20 0.44
MAPK13 O15264 9/20 0.40
BUB1 O43683 1/20 0.38
PRKACG P22612 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
MAPK11 Q15759 1/20 0.38
ACSL5 Q9ULC5 1/20 0.38
STK24 Q9Y6E0 1/20 0.38

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
SCHEMBL2394505 1.00 MAPK14 (0.44) MAPK14CYP2C9MAPK13BUB1PRKACG
SCHEMBL12259588 0.94 MAPK14 (0.45) MAPK14CYP2C9MAPK13
Hydrochloric Acid SCHEMBL1727563 0.93 MAPK14 (0.44) MAPK14CYP2C9MAPK13
SCHEMBL2392281 0.93 MAPK14 (0.47) MAPK14CYP2C9MAPK13
SCHEMBL2391927 0.90 MAPK14 (0.47) MAPK14CYP2C9MAPK13BUB1PRKACG
SCHEMBL1727935 0.90 MAPK14 (0.45) MAPK14CYP2C9MAPK13
SCHEMBL2420744 0.90 MAPK14 (0.47) MAPK14CYP2C9MAPK13MAPK11
SCHEMBL2420746 0.90 MAPK14 (0.47) MAPK14CYP2C9MAPK13MAPK11
SCHEMBL2420776 0.90 MAPK14 (0.47) MAPK14CYP2C9MAPK13MAPK11
SCHEMBL2393874 0.89 MAPK14 (0.43) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102245593-A Isoquinolinone derivatives ASTRAZENECA AB 2011-11-16 CN disclosed
US-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed
US-8012980-B2 Isoquinolinone derivatives ASTRAZENECA AB (SE) 2011-09-06 US disclosed
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
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-22 US disclosed
US-20100099665-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-22 US disclosed
WO-2010039079-A1 ISOQUINOLINONE DERIVATIVES ASTRAZENECA AB (SE) 2010-04-08 WO 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 98/4885MAPK13 4717/4885

“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.