SCHEMBL2805159

SCHEMBL2805159

N#Cc1cccc(S(=O)(=O)NC2CCc3c(cnc4[nH]ncc34)C2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SGK1 O00141 2/20 0.43
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
STS P08842 1/20 0.38
NR1H2 P55055 1/20 0.38
JAK2 O60674 2/20 0.38
JAK1 P23458 2/20 0.38
NAMPT P43490 1/20 0.38
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
JAK3 P52333 1/20 0.37
P4HB P07237 1/20 0.36
GLO1 Q04760 1/20 0.36
SLC40A1 Q9NP59 1/20 0.36
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
HDAC8 Q9BY41 3/20 0.36
HDAC6 Q9UBN7 2/20 0.36
KIT P10721 1/20 0.36
BRAF P15056 1/20 0.36

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
SCHEMBL2806632 0.86 HDAC8 (0.50) HDAC8HDAC6KITBRAF
SCHEMBL2804752 0.86 HDAC8 (0.50) HDAC8HDAC6KITMAP3K20
SCHEMBL2805214 0.86 FBP1 (0.39) STSHDAC8HDAC6
SCHEMBL13273539 0.86 TNNI3K (0.40) HDAC8HDAC6KIT
SCHEMBL2489862 0.85 RB1 (0.43) HDAC8
SCHEMBL2804200 0.83 HDAC8 (0.52) STSNAMPTHDAC8HDAC6
SCHEMBL2802661 0.83 HSD11B1 (0.40) STSNR1H2NAMPTHDAC8MAP3K20
SCHEMBL2803941 0.82 ALDH1A1 (0.49) HDAC8
SCHEMBL2807111 0.81 KMT2A (0.50) HDAC8HDAC6
SCHEMBL2808103 0.81 HDAC8 (0.49) HDAC8HDAC6

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 6 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

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 SGK1 1977/4885HRH2 950/4885HRH1 1047/4885

“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.