SCHEMBL8166429

SCHEMBL8166429

Cc1c(Nc2nnc(Cc3cccc(F)c3)o2)ccc2[nH]ncc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.41
▸ TP53 P04637 1/20 0.41
▸ KIT P10721 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ ROCK1 Q13464 2/20 0.39
▸ THRB P10828 2/20 0.39
▸ LMNA P02545 1/20 0.38
▸ PLK4 O00444 1/20 0.38
▸ PAK4 O96013 1/20 0.38
▸ PTK2 Q05397 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ PTGER1 P34995 1/20 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
▸ METTL3 Q86U44 1/20 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
SCHEMBL8166309 0.88 THRB (0.39) POLBTP53KITESR1ESR2
SCHEMBL8166917 0.88 ROCK1 (0.44) POLBTP53KITROCK1THRB
SCHEMBL16938550 0.80 TDO2 (0.35) POLBTP53KITESR1ESR2
SCHEMBL8166422 0.80 PTK2 (0.35) POLBTP53KITTHRBLMNA
SCHEMBL8174088 0.80 ROCK1 (0.47) ROCK1ROCK2METTL3
SCHEMBL8171335 0.78 ROCK1 (0.46) ROCK1PTK2ROCK2GSK3BAURKB
SCHEMBL8173845 0.76 PTK2 (0.41) ROCK1PTK2ROCK2RAF1BRAF
SCHEMBL8166436 0.76 ROCK1 (0.45) ROCK1PTK2ROCK2RAF1BRAF
SCHEMBL8173430 0.75 ROCK1 (0.39) ROCK1ROCK2
SCHEMBL8166227 0.75 ROCK1 (0.44) ROCK1ROCK2

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 POLB 4186/4885TP53 3775/4885KIT 1872/4885

“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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