SCHEMBL2803969

SCHEMBL2803969

O=S(=O)(Cc1cccc(Cl)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 2/20 0.41
CCNT1 O60563 1/20 0.39
CDK9 P50750 1/20 0.39
FAAH O00519 1/20 0.37
TP53 P04637 1/20 0.37
FNTA P49354 1/20 0.37
FNTB P49356 1/20 0.37
SCN9A Q15858 1/20 0.37
ROCK2 O75116 2/20 0.36
ROCK1 Q13464 2/20 0.36
NUDT1 P36639 1/20 0.36
PAK1 Q13153 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
USP2 O75604 1/20 0.36
CCR2 P41597 1/20 0.35
S100A9 P06702 1/20 0.35

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
SCHEMBL2805740 0.87 FAAH (0.38) FAAHSCN9AROCK2PAK1MEN1
SCHEMBL2808596 0.83 MEN1 (0.45) RPS6KB1MEN1KMT2A
SCHEMBL2806775 0.82 FAAH (0.51) FAAHSCN9AROCK2ROCK1PAK1
SCHEMBL2805398 0.80 MAPK1 (0.42) SCN9AKMT2A
SCHEMBL2805453 0.78 MET (0.46) RPS6KB1SCN9APAK1MEN1KMT2A
SCHEMBL2806857 0.77 PKM (0.48) KMT2AUSP2
SCHEMBL2806789 0.77 TMEM97 (0.43) RPS6KB1FAAHTP53SCN9A
SCHEMBL2804112 0.77 KMT2A (0.44) MEN1KMT2A
SCHEMBL2809003 0.76 MAPT (0.44) SCN9AMEN1KMT2A
SCHEMBL2805031 0.76 MKNK1 (0.45) RPS6KB1SCN9AKMT2A

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 RPS6KB1 1992/4885CCNT1 346/4885CDK9 189/4885

“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.