SCHEMBL8171335

SCHEMBL8171335

Clc1cccc(Cc2nnc(Nc3ccc4[nH]ncc4c3Cl)o2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 17/20 0.46
▸ ROCK2 O75116 3/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ JAK2 O60674 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ AURKB Q96GD4 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
SCHEMBL8174088 0.90 ROCK1 (0.47) ROCK1ROCK2
SCHEMBL8166917 0.90 ROCK1 (0.44) ROCK1ROCK2PTK2
SCHEMBL8166227 0.89 ROCK1 (0.44) ROCK1ROCK2
SCHEMBL8166436 0.87 ROCK1 (0.45) ROCK1ROCK2PTK2
SCHEMBL8173430 0.87 ROCK1 (0.39) ROCK1ROCK2
SCHEMBL8172938 0.86 ROCK1 (0.40) ROCK1ROCK2GSK3BAURKB
SCHEMBL8166429 0.78 POLB (0.41) ROCK1ROCK2PTK2GSK3BAURKB
SCHEMBL8166309 0.78 THRB (0.39) ROCK1ROCK2PTK2KDRGSK3B
SCHEMBL8171824 0.76 FADS1 (0.43) PTK2JAK2
SCHEMBL8173845 0.75 PTK2 (0.41) ROCK1ROCK2PTK2KDR

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 576/4885ROCK2 842/4885PTK2 178/4885

“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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