SCHEMBL2803903

SCHEMBL2803903

CC(C)S(=O)(=O)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.37
F12 P00748 4/20 0.36
GRM5 P41594 1/20 0.35
FGFR1 P11362 1/20 0.34
FGFR2 P21802 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SYK P43405 1/20 0.34
MAP3K5 Q99683 1/20 0.33
CYP1A2 P05177 1/20 0.32
ATR Q13535 2/20 0.32
ATRIP Q8WXE1 1/20 0.32
P2RX3 P56373 1/20 0.32
RET P07949 1/20 0.31
PI4KA P42356 1/20 0.31
XDH P47989 1/20 0.31
LRRK2 Q5S007 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
PIK3R1 P27986 1/20 0.31

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
SCHEMBL2805913 0.86 ALDH1A1 (0.41) SCN9AF12FGFR1FGFR2ALDH1A1
SCHEMBL2805398 0.85 MAPK1 (0.42) SCN9AF12FGFR1FGFR2ALDH1A1
SCHEMBL2805143 0.81 FAAH (0.38) SCN9AF12GRM5FGFR1FGFR2
SCHEMBL2809003 0.81 MAPT (0.44) SCN9AFGFR1FGFR2ALDH1A1JAK2
SCHEMBL2804811 0.79 PKM (0.44) ALDH1A1
SCHEMBL2486484 0.79 MEN1 (0.51) SCN9AF12ALDH1A1
SCHEMBL2803975 0.78 NPSR1 (0.43) SCN9AALDH1A1
SCHEMBL2805150 0.78 ALOX5AP (0.39) SCN9A
SCHEMBL2804112 0.77 KMT2A (0.44) CNR1
SCHEMBL2806789 0.77 TMEM97 (0.43) SCN9ACNR1

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 SCN9A 3955/4885F12 3791/4885GRM5 1037/4885

“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.