SCHEMBL8179752

SCHEMBL8179752

Clc1n[nH]c2ccc(Nc3nnc(Cc4ccccc4)o3)cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 2/20 0.40
▸ CDC7 O00311 1/20 0.40
▸ CCNE1 P24864 1/20 0.40
▸ DBF4 Q9UBU7 1/20 0.40
▸ EGFR P00533 2/20 0.40
▸ HAO1 Q9UJM8 1/20 0.40
▸ STAT3 P40763 1/20 0.38
▸ RAB9A P51151 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ GPR55 Q9Y2T6 1/20 0.37
▸ ERBB2 P04626 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ BCL2 P10415 1/20 0.36
▸ GRM4 Q14833 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ ALDH1A1 P00352 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
SCHEMBL8171824 0.90 FADS1 (0.43) EGFRRAB9ASMN1; SMN2NPC1BCL2
SCHEMBL8181662 0.88 FADS1 (0.41) CDK2CDC7CCNE1DBF4RAB9A
SCHEMBL8172975 0.87 CDC7 (0.54) CDK2CDC7CCNE1DBF4HAO1
SCHEMBL8180615 0.86 FADS1 (0.44) CDK2CDC7EGFRSMN1; SMN2GRM4
SCHEMBL8187055 0.85 TRPA1 (0.41) GRM4FADS1HRH3
SCHEMBL13229677 0.78 HRH3 (0.54) EGFRRAB9ASMN1; SMN2NPC1HPGD
SCHEMBL8164806 0.77 JAK2 (0.42) CDK2CDC7CCNE1DBF4EGFR
SCHEMBL13229678 0.76 HRH3 (0.54) EGFRSTAT3RAB9ASMN1; SMN2NPC1
SCHEMBL8173056 0.74 CDC7 (0.42) CDK2CDC7CCNE1DBF4EGFR
SCHEMBL8166227 0.73 ROCK1 (0.44) CDK2CDC7CCNE1DBF4EGFR

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 CDK2 425/4885CDC7 1074/4885CCNE1 442/4885

“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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