SCHEMBL8178391

SCHEMBL8178391

COc1cccc([C@@H](C)Nc2nnc(Nc3ccc4[nH]ncc4c3)o2)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.50
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
SYK P43405 1/20 0.45
PIK3CA P42336 1/20 0.45
TNIK Q9UKE5 1/20 0.44
ROCK1 Q13464 12/20 0.43
ROCK2 O75116 11/20 0.43
RPS6KB1 P23443 1/20 0.42
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PRKG1 Q13976 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41

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
SCHEMBL12506948 0.86 CDC7 (0.51) NPC1RAB9AROCK1ROCK2RPS6KB1
SCHEMBL8174211 0.82 ROCK1 (0.44) KDRPIK3CAROCK1ROCK2RPS6KB1
SCHEMBL1229709 0.82 ROCK1 (0.58) KDRNPC1RAB9ASYKTNIK
SCHEMBL2257092 0.80 RPS6KB1 (0.40) ROCK1ROCK2RPS6KB1
SCHEMBL2257284 0.78 NPC1 (0.53) KDRNPC1RAB9ASYKPIK3CA
Hydrochloric Acid SCHEMBL2255980 0.78 NPC1 (0.52) KDRNPC1RAB9ASYKPIK3CA
SCHEMBL12507117 0.76 RPS6KB1 (0.41) ROCK1ROCK2RPS6KB1
SCHEMBL12506921 0.75 ROCK2 (0.41) ROCK1ROCK2RPS6KB1
SCHEMBL12507240 0.75 RPS6KB1 (0.44) ROCK1ROCK2RPS6KB1
SCHEMBL12507123 0.75 ROCK2 (0.42) ROCK1ROCK2RPS6KB1

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 KDR 2547/4885NPC1 2851/4885RAB9A 3418/4885

“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.