SCHEMBL2802787

SCHEMBL2802787

CCOC(=O)CNC(=O)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.39
NLRP3 Q96P20 1/20 0.38
FYN P06241 1/20 0.37
PDE4B Q07343 1/20 0.37
CHEK1 O14757 2/20 0.37
CHEK2 O96017 1/20 0.37
CYP17A1 P05093 2/20 0.37
CYP21A2 P08686 2/20 0.37
CYP11B1 P15538 2/20 0.37
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
PDE4D Q08499 1/20 0.34

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
SCHEMBL2804250 0.85 KMT2A (0.41) NAMPTFYNCHEK1MEN1KMT2A
SCHEMBL2803239 0.81 PRMT5 (0.38) NAMPTFYNKMT2A
SCHEMBL2802604 0.80 NAMPT (0.39) NAMPTFYNCHEK1MEN1KMT2A
SCHEMBL2802235 0.78 NPC1 (0.60) MEN1KMT2A
SCHEMBL12316273 0.78 ENPP2 (0.43)
SCHEMBL2488531 0.77 MEN1 (0.50) MEN1KMT2A
SCHEMBL12340426 0.77 NAMPT (0.34) NAMPTFYNPDE4BCHEK1CHEK2
SCHEMBL2808046 0.77 FLT3 (0.42) NAMPTMEN1KMT2APOLB
SCHEMBL2804990 0.77 NAMPT (0.46) NAMPTKDM4EMEN1KMT2A
SCHEMBL2486452 0.77 NR1H2 (0.51) NAMPT

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 NAMPT 212/4885NLRP3 4090/4885FYN 1564/4885

“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.