SCHEMBL17094835

SCHEMBL17094835

COC(=O)C1Cc2cccnc2N1C(=O)C(NC(=O)OC(C)(C)C)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.38
CTSL P07711 1/20 0.38
KLK5 Q9Y337 1/20 0.38
ALDH1A1 P00352 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
NPR3 P17342 1/20 0.36
SCN9A Q15858 1/20 0.36
OPRK1 P41145 3/20 0.34
EPHX2 P34913 1/20 0.34
CYP3A4 P08684 2/20 0.34
REN P00797 1/20 0.34
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL17094833 1.00 AAK1 (0.38) AAK1CTSLKLK5ALDH1A1NPSR1
SCHEMBL17094845 0.92 CTSL (0.39) AAK1CTSLALDH1A1NPSR1NPR3
SCHEMBL17094842 0.92 CTSL (0.39) AAK1CTSLALDH1A1NPSR1NPR3
SCHEMBL17094791 0.83 AAK1 (0.43) AAK1CTSLSCN9A
SCHEMBL17094790 0.83 AAK1 (0.43) AAK1CTSLSCN9A
SCHEMBL17094830 0.79 PTPN1 (0.42)
SCHEMBL19181306 0.77 ACE (0.43) SCN9A
SCHEMBL19181285 0.77 ACE (0.43) SCN9A
SCHEMBL19181283 0.77 ACE (0.43) SCN9A
SCHEMBL17062865 0.75 CMA1 (0.41) CTSLALDH1A1SCN9AMEN1KMT2A

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 3 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

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-20150266879-A1 AZAINDOLINES AZI2, H1-5, CCNY AAK1 3726/4885CTSL 3881/4885KLK5 2975/4885

“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.