SCHEMBL16845744

SCHEMBL16845744

CC(C)Oc1cc2[nH]ncc2cc1NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 13/20 0.52
▸ TRPA1 O75762 1/20 0.44
▸ MKNK2 Q9HBH9 2/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ P2RX3 P56373 2/20 0.38
▸ ROCK2 O75116 1/20 0.37
▸ ROCK1 Q13464 1/20 0.37

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
SCHEMBL16845737 0.87 IRAK4 (0.51) MKNK1TRPA1IRAK4L3MBTL1
SCHEMBL18168040 0.84 MKNK1 (0.57) MKNK1TRPA1MKNK2IRAK4L3MBTL1
SCHEMBL16845644 0.84 TRPA1 (0.44) MKNK1TRPA1IRAK4L3MBTL1ROCK2
SCHEMBL16845708 0.83 L3MBTL1 (0.57) L3MBTL1ROCK2ROCK1
SCHEMBL16845739 0.82 L3MBTL1 (0.43) IRAK4L3MBTL1ROCK2ROCK1
SCHEMBL16845713 0.81 AXL (0.43) MKNK1IRAK4L3MBTL1ROCK2ROCK1
SCHEMBL16845710 0.81 ROCK1 (0.47) MKNK1TRPA1L3MBTL1ROCK2ROCK1
SCHEMBL22176838 0.80 L3MBTL1 (0.41) IRAK4L3MBTL1ROCK2ROCK1
SCHEMBL28087713 0.80 L3MBTL1 (0.41) IRAK4L3MBTL1ROCK2ROCK1
SCHEMBL27228043 0.79 TRPA1 (0.41) TRPA1IRAK4L3MBTL1ROCK2ROCK1

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
US-9951086-B2 Indazolecarboxamides, processes for their preparation, pharmaceutical preparations comprising them and their use for producing medicaments BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-24 — — US disclosed
EP-3083586-B1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS Bayer Pharma AG (DE) 2018-04-18 — — EP disclosed
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-10-27 — — US disclosed
WO-2015091426-A1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-06-25 — — 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-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS MALT1, APC, UACA MKNK1 2625/4885TRPA1 2200/4885MKNK2 2125/4885

“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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