SCHEMBL4003253

SCHEMBL4003253

Cc1n[nH]c2ccc(NC(=O)OC(C)(C)C)cc12

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CYP17A1 P05093 3/20 0.44
▸ AURKA O14965 1/20 0.44
▸ AURKB Q96GD4 1/20 0.44
▸ PSMB8 P28062 1/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ JAK2 O60674 2/20 0.42
▸ JAK1 P23458 1/20 0.42
▸ LEF1 Q9UJU2 1/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ LRRK2 Q5S007 2/20 0.41
▸ ITK Q08881 3/20 0.41
▸ ULK1 O75385 2/20 0.40
▸ PTGDR2 Q9Y5Y4 1/20 0.40

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
SCHEMBL7369787 0.90 CA12 (0.51) CA12CA1CA9CYP17A1AURKA
SCHEMBL30050848 0.86 CA12 (0.44) CA12CA1CA9CYP17A1AURKA
SCHEMBL2564647 0.86 CA12 (0.44) CA12CA1CA9CYP17A1AURKA
SCHEMBL29781884 0.84 NTRK1 (0.50) CA12CA1CA9AURKAPSMB8
SCHEMBL4006767 0.83 LRRK2 (0.53) AURKAAURKBJAK2JAK1LRRK2
SCHEMBL18167981 0.82 JAK2 (0.52) JAK2JAK1LRRK2ITKULK1
SCHEMBL14014041 0.80 ITK (0.57) JAK2JAK1ITK
SCHEMBL16052770 0.79 SREBF2 (0.46) CA12CA1CA9CYP17A1AURKA
SCHEMBL30432899 0.78 CA12 (0.47) CA12CA1CA9CYP17A1AURKA
SCHEMBL7368266 0.78 CA12 (0.47) CA12CA1CA9CYP17A1AURKA

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 10 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-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
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
US-7473701-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2009-01-06 — — US disclosed
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-03-17 — — US disclosed
US-6858638-B2 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2005-02-22 — — US disclosed
US-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use AVENTIS PHARMA S.A. (FR) 2004-06-03 — — US 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 (3 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-20040106667-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 CA12 4401/4885CA1 4322/4885CA9 2253/4885
US-20050059722-A1 Substituted indazoles, compositions containing them, method of production and use ABL1, CDK3, CILK1 CA12 4431/4885CA1 4252/4885CA9 2646/4885
US-20160311833-A1 NOVEL INDAZOLECARBOXAMIDES, PROCESSES FOR THEIR PREPARATION, PHARMACEUTICAL PREPARATIONS COMPRISING THEM AND THEIR USE FOR PRODUCING MEDICAMENTS MALT1, APC, UACA CA12 3185/4885CA1 4461/4885CA9 3733/4885

“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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