SCHEMBL17094845

SCHEMBL17094845

CC(C)(C)OC(=O)NC(C(=O)N1c2ncccc2CC1C(=O)O)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
ACE P12821 1/20 0.38
AAK1 Q2M2I8 3/20 0.37
SCN9A Q15858 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPR3 P17342 1/20 0.35

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
SCHEMBL17094842 1.00 CTSL (0.39) CTSLACEAAK1SCN9AALDH1A1
SCHEMBL17094835 0.92 AAK1 (0.38) CTSLAAK1SCN9AALDH1A1NPSR1
SCHEMBL17094833 0.92 AAK1 (0.38) CTSLAAK1SCN9AALDH1A1NPSR1
SCHEMBL17094791 0.91 AAK1 (0.43) CTSLACEAAK1SCN9A
SCHEMBL17094790 0.91 AAK1 (0.43) CTSLACEAAK1SCN9A
SCHEMBL19181306 0.86 ACE (0.43) ACESCN9A
SCHEMBL19181283 0.86 ACE (0.43) ACESCN9A
SCHEMBL19181285 0.86 ACE (0.43) ACESCN9A
SCHEMBL17062865 0.83 CMA1 (0.41) CTSLACESCN9AALDH1A1
SCHEMBL17062864 0.83 CMA1 (0.41) CTSLACESCN9AALDH1A1

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-2906559-B1 AZAINDOLINES HOFFMANN LA ROCHE (CH) 2017-02-08 EP disclosed
US-9309248-B2 Azaindolines HOFFMANN-LA ROCHE INC. (US) 2016-04-12 US disclosed
US-20150266879-A1 AZAINDOLINES HOFFMANN-LA ROCHE INC. 2015-09-24 US disclosed
US-20150080426-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 AUSPEX PHARMACEUTICALS, INC. 2015-03-19 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 (2 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-20150266879-A1 AZAINDOLINES AZI2, H1-5, CCNY CTSL 3881/4885ACE 4661/4885AAK1 3726/4885
US-20150080426-A1 BENZOQUINOLINE INHIBITORS OF VMAT 2 SLC18A2, ACAT2, SLC6A2 CTSL 4631/4885ACE 3368/4885AAK1 2366/4885

“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.