SCHEMBL16834130

SCHEMBL16834130

COc1cc2[nH]ncc2cc1NC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.55
▸ MKNK1 Q9BUB5 6/20 0.54
▸ AXL P30530 1/20 0.54
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MAOB P27338 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAOA P21397 1/20 0.46
▸ POLQ O75417 1/20 0.45
▸ EGFR P00533 1/20 0.44

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
SCHEMBL18168040 0.85 MKNK1 (0.57) IRAK4MKNK1AXLL3MBTL1MEN1
SCHEMBL18167974 0.83 L3MBTL1 (0.68) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL16845737 0.83 IRAK4 (0.51) IRAK4MKNK1AXLL3MBTL1MEN1
SCHEMBL16834643 0.82 TRPA1 (0.48) IRAK4MKNK1AXLL3MBTL1MEN1
SCHEMBL2564744 0.81 ALDH1A1 (0.57) IRAK4MKNK1L3MBTL1MEN1KMT2A
SCHEMBL2564742 0.81 ALDH1A1 (0.57) IRAK4MKNK1L3MBTL1MEN1KMT2A
SCHEMBL16834507 0.81 IRAK4 (0.54) IRAK4MKNK1MEN1KMT2AALDH1A1
Oxalic Acid SCHEMBL29288246 0.80 AXL (0.61) IRAK4MKNK1AXLMEN1KMT2A
SCHEMBL16834315 0.79 L3MBTL1 (0.50) L3MBTL1MEN1KMT2AALDH1A1MAPT
SCHEMBL16834600 0.78 MKNK1 (0.47) IRAK4MKNK1MEN1KMT2AALDH1A1

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
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
EP-3083586-A1 NOVEL CARBOXAMIDES, METHOD FOR THE PRODUCTION THEREOF, PHARMACEUTICAL PREPARATIONS COMPRISING THEM, AND USE THEREOF FOR PRODUCING MEDICAMENTS Bayer Pharma Aktiengesellschaft (DE) 2016-10-26 — — EP 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 IRAK4 339/4885MKNK1 2625/4885AXL 1580/4885

“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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