SCHEMBL8166309

SCHEMBL8166309

Fc1cccc(Cc2nnc(Nc3ccc4[nH]ncc4c3Br)o2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.39
▸ POLB P06746 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ TP53 P04637 1/20 0.37
▸ KIT P10721 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ ROCK2 O75116 1/20 0.35
▸ PIM1 P11309 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ AURKB Q96GD4 1/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ TDO2 P48775 1/20 0.34
▸ PLK4 O00444 1/20 0.34
▸ PAK4 O96013 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ ROCK1 Q13464 1/20 0.33

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
SCHEMBL8166917 0.88 ROCK1 (0.44) THRBPOLBLMNAPTK2TP53
SCHEMBL8166429 0.88 POLB (0.41) THRBPOLBLMNAPTK2TP53
SCHEMBL8173845 0.85 PTK2 (0.41) PTK2ROCK2RAF1BRAFROCK1
SCHEMBL16938550 0.80 TDO2 (0.35) THRBPOLBLMNAPTK2TP53
SCHEMBL8166422 0.78 PTK2 (0.35) THRBPOLBLMNAPTK2TP53
SCHEMBL8171335 0.78 ROCK1 (0.46) PTK2ROCK2GSK3BAURKBROCK1
SCHEMBL8174088 0.76 ROCK1 (0.47) ROCK2ROCK1
SCHEMBL8173430 0.75 ROCK1 (0.39) ROCK2ROCK1
SCHEMBL8166227 0.75 ROCK1 (0.44) ROCK2ROCK1CDC7CCNE1CDK2
SCHEMBL8181662 0.73 FADS1 (0.41) THRBPOLBLMNAPTK2TP53

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 8 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-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
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 THRB 1441/4885POLB 4186/4885LMNA 1611/4885

“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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