SCHEMBL8179482

SCHEMBL8179482

COc1cccc(Cc2nnc(Nc3ccc4[nH]ncc4c3Sc3cccc(OC)c3)o2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 2/20 0.40
▸ ROCK2 O75116 6/20 0.36
▸ ALOX5 P09917 1/20 0.36
▸ MAOB P27338 1/20 0.36
▸ MTNR1A P48039 1/20 0.36
▸ MTNR1B P49286 1/20 0.36
▸ RAF1 P04049 2/20 0.36
▸ BRAF P15056 2/20 0.36
▸ TUBB4A P04350 3/20 0.35
▸ TUBB P07437 3/20 0.35
▸ TUBA3C P0DPH7 3/20 0.35
▸ TUBA1B P68363 3/20 0.35
▸ TUBA4A P68366 3/20 0.35
▸ TUBB4B P68371 3/20 0.35
▸ TUBB3 Q13509 3/20 0.35
▸ TUBB2A Q13885 3/20 0.35
▸ TUBB8 Q3ZCM7 3/20 0.35
▸ TUBA3E Q6PEY2 3/20 0.35
▸ TUBA1A Q71U36 3/20 0.35
▸ TUBA1C Q9BQE3 3/20 0.35

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
SCHEMBL8166422 0.94 PTK2 (0.35) PTK2ALOX5MAOBMTNR1AMTNR1B
SCHEMBL8173845 0.85 PTK2 (0.41) PTK2ROCK2ALOX5MAOBMTNR1A
SCHEMBL8166436 0.85 ROCK1 (0.45) PTK2ROCK2ALOX5MAOBMTNR1A
SCHEMBL16938550 0.81 TDO2 (0.35) PTK2ROCK2RAF1BRAFRPS6KB1
SCHEMBL2257284 0.76 NPC1 (0.53) ROCK2ROCK1
Hydrochloric Acid SCHEMBL2255980 0.75 NPC1 (0.52) ROCK2ROCK1
SCHEMBL8166429 0.72 POLB (0.41) PTK2ROCK2RAF1BRAFROCK1
SCHEMBL8174088 0.72 ROCK1 (0.47) ROCK2ROCK1
SCHEMBL8173698 0.72 PTK2 (0.41) PTK2ALOX5MAOBMTNR1AMTNR1B
SCHEMBL8171335 0.72 ROCK1 (0.46) PTK2ROCK2ROCK1

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 PTK2 178/4885ROCK2 842/4885ALOX5 2332/4885

“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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