SCHEMBL8166436

SCHEMBL8166436

COc1cccc(Cc2nnc(Nc3ccc4[nH]ncc4c3Cl)o2)c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 11/20 0.45
▸ PTK2 Q05397 1/20 0.41
▸ ROCK2 O75116 5/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ MTNR1A P48039 1/20 0.39
▸ MTNR1B P49286 1/20 0.39
▸ RAF1 P04049 2/20 0.38
▸ BRAF P15056 2/20 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
SCHEMBL8173845 0.89 PTK2 (0.41) ROCK1PTK2ROCK2ALOX5MAOB
SCHEMBL8174088 0.87 ROCK1 (0.47) ROCK1ROCK2
SCHEMBL8171335 0.87 ROCK1 (0.46) ROCK1PTK2ROCK2
SCHEMBL8166917 0.85 ROCK1 (0.44) ROCK1PTK2ROCK2
SCHEMBL8166227 0.85 ROCK1 (0.44) ROCK1ROCK2
SCHEMBL8179482 0.85 PTK2 (0.40) ROCK1PTK2ROCK2ALOX5MAOB
SCHEMBL8173698 0.83 PTK2 (0.41) PTK2ALOX5MAOBMTNR1AMTNR1B
SCHEMBL8172938 0.82 ROCK1 (0.40) ROCK1ROCK2MAOB
SCHEMBL8173430 0.81 ROCK1 (0.39) ROCK1ROCK2
SCHEMBL2257284 0.80 NPC1 (0.53) ROCK1ROCK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2155728-B1 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-29 — — EP claimed
EP-2155728-B1 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-29 — — EP disclosed
EP-2155728-B1 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2015-07-29 — — EP disclosed
US-8334309-B2 Heterocyclic indazole derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-18 — — US disclosed
US-20110190355-A1 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-08-04 — — US disclosed
WO-2008138448-A2 HETEROCYCLIC INDAZOLE DERIVATIVES MERCK PATENT GMBH (DE) 2008-11-20 — — 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-20110190355-A1 HETEROCYCLIC INDAZOLE DERIVATIVES SGK3, SGK2, SGK1 ROCK1 576/4885PTK2 178/4885ROCK2 842/4885

“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.

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