SCHEMBL8166227

SCHEMBL8166227

Clc1c(Nc2nnc(Cc3ccccc3)o2)ccc2[nH]ncc12

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 14/20 0.44
▸ CDC7 O00311 1/20 0.38
▸ CCNE1 P24864 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ DBF4 Q9UBU7 1/20 0.38
▸ EGFR P00533 2/20 0.38
▸ ROCK2 O75116 2/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ STAT3 P40763 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
SCHEMBL8171335 0.89 ROCK1 (0.46) ROCK1ROCK2
SCHEMBL8174088 0.87 ROCK1 (0.47) ROCK1ROCK2SMN1; SMN2
SCHEMBL8166917 0.87 ROCK1 (0.44) ROCK1ROCK2
SCHEMBL8172938 0.86 ROCK1 (0.40) ROCK1ROCK2
SCHEMBL8166436 0.85 ROCK1 (0.45) ROCK1ROCK2
SCHEMBL8173430 0.84 ROCK1 (0.39) ROCK1ROCK2
SCHEMBL18056290 0.76 ROCK1 (0.57) ROCK1ROCK2
SCHEMBL8166309 0.75 THRB (0.39) ROCK1CDC7CCNE1CDK2DBF4
SCHEMBL8166429 0.75 POLB (0.41) ROCK1ROCK2
SCHEMBL8179752 0.73 CDK2 (0.40) CDC7CCNE1CDK2DBF4EGFR

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 576/4885CDC7 1074/4885CCNE1 442/4885

“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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