SCHEMBL16845708

SCHEMBL16845708

Cc1cc2[nH]ncc2cc1NC(=O)OC(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.57
▸ ALDH1A1 P00352 4/20 0.51
▸ MAPT P10636 4/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ S1PR1 P21453 3/20 0.43
▸ S1PR3 Q99500 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ ROCK2 O75116 3/20 0.42
▸ ROCK1 Q13464 3/20 0.42
▸ NPC1 O15118 2/20 0.40
▸ LCK P06239 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ RPS6KB1 P23443 2/20 0.38
▸ RPS6KA1 Q15418 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDR P35968 1/20 0.38

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
SCHEMBL16845739 0.88 L3MBTL1 (0.43) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16845713 0.87 AXL (0.43) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16845710 0.87 ROCK1 (0.47) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL28087713 0.86 L3MBTL1 (0.41) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16845737 0.86 IRAK4 (0.51) L3MBTL1MEN1KMT2APOLBNPC1
SCHEMBL22176838 0.86 L3MBTL1 (0.41) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL22176843 0.85 MAPT (0.43) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL16845744 0.83 MKNK1 (0.52) L3MBTL1ROCK2ROCK1
SCHEMBL16845644 0.83 TRPA1 (0.44) L3MBTL1ALDH1A1MAPTMEN1KMT2A
SCHEMBL18167974 0.81 L3MBTL1 (0.68) L3MBTL1ALDH1A1MAPTMEN1KMT2A

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 L3MBTL1 4741/4885ALDH1A1 1447/4885MAPT 534/4885

“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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