SCHEMBL8173698

SCHEMBL8173698

COc1cccc(Cc2nnc(Nc3ccc4[nH]nc(Cl)c4c3Cl)o2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTK2 Q05397 1/20 0.41
▸ MCHR1 Q99705 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ MTNR1A P48039 1/20 0.37
▸ MTNR1B P49286 1/20 0.37
▸ CPB1 P15086 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ EGFR P00533 2/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ FADS1 O60427 1/20 0.35
▸ IGF1R P08069 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ APLNR P35414 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34

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
SCHEMBL8166436 0.83 ROCK1 (0.45) PTK2ALOX5MAOBMTNR1AMTNR1B
SCHEMBL8180615 0.82 FADS1 (0.44) PTK2MCHR1ALOX5MAOBMTNR1A
SCHEMBL8173845 0.76 PTK2 (0.41) PTK2ALOX5MAOBMTNR1AMTNR1B
SCHEMBL8173056 0.75 CDC7 (0.42) PTK2ALOX5MAOBMTNR1AMTNR1B
SCHEMBL2257393 0.74 KDR (0.42) PTK2MCHR1ALOX5MAOBMTNR1A
SCHEMBL2256107 0.72 PTK2 (0.39) PTK2MCHR1ALOX5MAOBMTNR1A
SCHEMBL8179482 0.72 PTK2 (0.40) PTK2ALOX5MAOBMTNR1AMTNR1B
SCHEMBL2257284 0.72 NPC1 (0.53) KDR
Hydrochloric Acid SCHEMBL2255980 0.71 NPC1 (0.52) KDR
SCHEMBL8174088 0.70 ROCK1 (0.47) SMN1; SMN2

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 178/4885MCHR1 3610/4885ALOX5 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.

Send feedback