SCHEMBL17099424

SCHEMBL17099424

COC(=O)c1cc(B2OC(C)(C)C(C)(C)O2)cc(Cl)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.38
GAA P10253 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
DGAT1 O75907 1/20 0.35
ABL1 P00519 1/20 0.35
CA1 P00915 3/20 0.34
CA2 P00918 3/20 0.34
CA9 Q16790 3/20 0.34
HIF1A Q16665 2/20 0.34
NQO2 P16083 1/20 0.33
LMNA P02545 2/20 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
SCHEMBL27096456 0.90 PTGS2 (0.39) AAK1GAAMEN1KMT2AHPGD
SCHEMBL24526289 0.86 AAK1 (0.36) AAK1GAAMEN1KMT2AHPGD
SCHEMBL17037852 0.86 ROCK1 (0.37) AAK1GAAMEN1KMT2AHPGD
SCHEMBL3461872 0.84 MEN1 (0.47) AAK1GAAMEN1KMT2AHPGD
SCHEMBL516806 0.84 AAK1 (0.39) AAK1GAAMEN1KMT2AHPGD
SCHEMBL2792346 0.83 AAK1 (0.44) AAK1MEN1KMT2AHPGDHTT
SCHEMBL20556209 0.80 CYP3A4 (0.40) AAK1GAAHPGDHTTALDH1A1
SCHEMBL18585389 0.79 LIPG (0.36) MAPTDGAT1CA1CA2CA9
SCHEMBL23599865 0.79 DGAT1 (0.34) AAK1TP53MAPTNPSR1DGAT1
SCHEMBL23162278 0.78 AAK1 (0.39) AAK1GAAMEN1KMT2AHPGD

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-3119785-A1 CYANO CONTAINING AZABENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2017-01-25 EP disclosed
US-9249152-B2 Cyano containing azabenzofuran compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2016-02-02 US disclosed
WO-2015143255-A1 CYANO CONTAINING AZABENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2015-09-24 WO disclosed
US-20150266886-A1 CYANO CONTAINING AZABENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY 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-20150266886-A1 CYANO CONTAINING AZABENZOFURAN COMPOUNDS FOR THE TREATMENT OF HEPATITIS C HCCS, CPS1, HAVCR2 AAK1 4356/4885GAA 460/4885MEN1 4343/4885

“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.