SCHEMBL2802855

SCHEMBL2802855

COc1ccc(OC)c(S(=O)(=O)NC2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.45
CTSS P25774 2/20 0.45
CTSK P43235 2/20 0.45
CTSC P53634 2/20 0.45
CTSB P07858 1/20 0.45
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
ACHE P22303 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
BRD4 O60885 1/20 0.40
BRD3 Q15059 1/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
TP53 P04637 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
SCHEMBL2803943 0.90 L3MBTL1 (0.41) L3MBTL1SMN1; SMN2DRD2ADRA1DADRA1A
SCHEMBL2803976 0.86 TBXA2R (0.42) CA1CA2ACHE
SCHEMBL2805137 0.85 L3MBTL1 (0.44) KMT2AL3MBTL1CA1CA2ACHE
SCHEMBL2808034 0.85 HDAC8 (0.52) KMT2ACA1CA2ACHESMN1; SMN2
SCHEMBL2802661 0.84 HSD11B1 (0.40) L3MBTL1CA1CA2ACHEBRD4
SCHEMBL12315802 0.84 FGFR1 (0.39) KMT2AL3MBTL1CA1CA2ACHE
SCHEMBL2803951 0.79 BRD4 (0.39) KMT2AL3MBTL1SMN1; SMN2BRD4BRD3
SCHEMBL2803283 0.79 L3MBTL1 (0.35) KMT2AL3MBTL1SMN1; SMN2BRD4MEN1
SCHEMBL2807827 0.79 PAK1 (0.36) KMT2ACA1CA2ACHEBRD4
SCHEMBL2802723 0.78 PAK1 (0.37) KMT2ACA1CA2ACHEMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-8263610-B2 Substituted imidazolyl-5,6-dihydrobenzo[N]isoquinoline compounds ARQULE, INC. (US) 2012-09-11 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
US-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS ARQULE, INC. (US) 2010-09-23 US disclosed
WO-2010078427-A1 SUBSTITUTED PYRAZOLO [3, 4-B] PYRIDINE COMPOUNDS ARQULE, INC. (US) 2010-07-08 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-20100239526-A1 SUBSTITUTED IMIDAZOLYL-5,6-DIHYDROBENZO[N]ISOQUINOLINE COMPOUNDS NQO1, IDH3B, IDH1 CTSL 3818/4885CTSS 3911/4885CTSK 3260/4885

“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.