SCHEMBL1726490

SCHEMBL1726490

Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC3CC3)cc(SC3CCNCC3)c2c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.49
CYP2C9 P11712 5/20 0.49
SGK1 O00141 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK13 O15264 7/20 0.42

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
SCHEMBL1710505 0.90 MAPK14 (0.47) MAPK14CYP2C9SGK1MAPK11MAPK13
SCHEMBL2396641 0.88 MAPK14 (0.47) MAPK14CYP2C9MAPK11MAPK13
SCHEMBL2393180 0.88 MAPK14 (0.47) MAPK14CYP2C9MAPK11MAPK13
SCHEMBL2392845 0.88 MAPK14 (0.45) MAPK14CYP2C9MAPK13
SCHEMBL2421727 0.84 MAPK14 (0.52) MAPK14CYP2C9SGK1MAPK11MAPK13
SCHEMBL1722189 0.84 MAPK14 (0.48) MAPK14CYP2C9SGK1MAPK13
SCHEMBL1722839 0.84 MAPK14 (0.46) MAPK14CYP2C9MAPK11MAPK13
SCHEMBL1722837 0.84 MAPK14 (0.46) MAPK14CYP2C9MAPK11MAPK13
SCHEMBL2415900 0.84 MAPK14 (0.49) MAPK14CYP2C9SGK1MAPK11MAPK13
SCHEMBL2421725 0.83 MAPK14 (0.47) MAPK14CYP2C9SGK1MAPK13

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 9 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-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
EP-2344472-A1 ISOQUINOLINONE DERIVATIVES AstraZeneca AB (SE) 2011-07-20 EP 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
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 98/4885SGK1 881/4885

“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.