SCHEMBL8174178

SCHEMBL8174178

COc1cccc(CC(=O)NNC(=S)Nc2ccc3c(cnn3C(=O)OC(C)(C)C)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.45
▸ ITK Q08881 1/20 0.45
▸ ALDH1A1 P00352 8/20 0.43
▸ GAA P10253 7/20 0.43
▸ LMNA P02545 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ ROCK2 O75116 2/20 0.42
▸ ROCK1 Q13464 2/20 0.42
▸ EEF2K O00418 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ CLK2 P49760 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ NEK4 P51957 1/20 0.42
▸ PRKG2 Q13237 1/20 0.42
▸ PKN2 Q16513 1/20 0.42
▸ TAOK1 Q7L7X3 1/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ PBK Q96KB5 1/20 0.42

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
SCHEMBL2256770 0.75 EGFR (0.46) EGFRITKROCK2ROCK1EEF2K
SCHEMBL18056465 0.73 EGFR (0.46) EGFRITKALDH1A1GAALMNA
SCHEMBL28087712 0.73 EGFR (0.55) EGFRITKGAAROCK2ROCK1
SCHEMBL6342427 0.73 EGFR (0.51) EGFRITKALDH1A1GAALMNA
SCHEMBL18038185 0.71 ROCK2 (0.40) EGFRITKALDH1A1GAALMNA
SCHEMBL18038300 0.71 EGFR (0.42) EGFRITKALDH1A1GAALMNA
SCHEMBL26196717 0.71 POLB (0.51) ALDH1A1GAASMN1; SMN2POLBTP53
SCHEMBL12507224 0.70 MEN1 (0.40) ALDH1A1GAALMNASMN1; SMN2POLB
SCHEMBL16938553 0.69 ROCK2 (0.52) EGFRITKALDH1A1GAAROCK2
SCHEMBL23266477 0.68 HDAC8 (0.51) EGFRITKROCK2ROCK1EEF2K

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 4 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 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 EGFR 2392/4885ITK 87/4885ALDH1A1 3123/4885

“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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