Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806757

SCHEMBL2806757

SCHEMBL2806757

O=S(=O)(CCc1cccc2ccccc12)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TAOK1 Q7L7X3 1/20 0.47
▸ TACR1 P25103 1/20 0.37
▸ SCN9A Q15858 3/20 0.37
▸ FAAH O00519 1/20 0.37
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ NQO2 P16083 1/20 0.36
▸ PARP1 P09874 2/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ TYK2 P29597 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ S1PR5 Q9H228 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HTR6 P50406 2/20 0.33
▸ PAK1 Q13153 1/20 0.33
▸ KCNA5 P22460 2/20 0.32

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
SCHEMBL2806775 0.80 FAAH (0.51) SCN9AFAAHSMN1; SMN2LMNAHTT
SCHEMBL2809003 0.80 MAPT (0.44) SCN9AJAK2JAK1TYK2JAK3
SCHEMBL2805398 0.79 MAPK1 (0.42) SCN9AF2JAK2JAK1TYK2
SCHEMBL2806849 0.76 TAOK1 (0.34) TAOK1NQO2S1PR5HTR6PAK1
SCHEMBL2486484 0.75 MEN1 (0.51) SCN9AFAAHF2SMN1; SMN2HTR6
SCHEMBL2803969 0.74 RPS6KB1 (0.41) SCN9AFAAHPAK1
SCHEMBL2805913 0.73 ALDH1A1 (0.41) SCN9AF2JAK2JAK1TYK2
SCHEMBL2807747 0.73 PKM (0.44) SCN9ALMNAHTTMAPT
SCHEMBL2805453 0.73 MET (0.46) SCN9ASMN1; SMN2LMNAHTR6PAK1
SCHEMBL2802509 0.72 F10 (0.42) SCN9AFAAHF10SMN1; SMN2MAPK1

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 TAOK1 2171/4885TACR1 3473/4885SCN9A 3955/4885

“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.