SCHEMBL8172938

SCHEMBL8172938

Clc1ccc(Cc2nnc(Nc3ccc4[nH]ncc4c3Cl)o2)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 16/20 0.40
▸ MAOB P27338 1/20 0.37
▸ ROCK2 O75116 2/20 0.36
▸ CLK2 P49760 3/20 0.36
▸ DYRK1A Q13627 3/20 0.36
▸ CLK4 Q9HAZ1 3/20 0.36
▸ AURKA O14965 1/20 0.36
▸ DYRK3 O43781 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ PRKCG P05129 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ MARK3 P27448 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ AKT1 P31749 1/20 0.36
▸ CSNK1D P48730 1/20 0.36
▸ GSK3A P49840 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ PRKX P51817 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
SCHEMBL8173430 0.88 ROCK1 (0.39) ROCK1ROCK2
SCHEMBL8171335 0.86 ROCK1 (0.46) ROCK1ROCK2GSK3BAURKB
SCHEMBL8166227 0.86 ROCK1 (0.44) ROCK1ROCK2
SCHEMBL8174088 0.85 ROCK1 (0.47) ROCK1ROCK2
SCHEMBL8166917 0.85 ROCK1 (0.44) ROCK1ROCK2
SCHEMBL8166436 0.82 ROCK1 (0.45) ROCK1MAOBROCK2
SCHEMBL8164806 0.74 JAK2 (0.42) ROCK1ROCK2CLK2DYRK1ACLK4
SCHEMBL8166429 0.72 POLB (0.41) ROCK1ROCK2GSK3BAURKB
SCHEMBL8166309 0.72 THRB (0.39) ROCK1ROCK2GSK3BAURKB
SCHEMBL8173845 0.70 PTK2 (0.41) ROCK1MAOBROCK2RPS6KB1

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 576/4885MAOB 2810/4885ROCK2 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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