Sugi Predict

Sugi Predict / Compounds / SCHEMBL2805740

SCHEMBL2805740

SCHEMBL2805740

O=S(=O)(Cc1ccc(Cl)c(Cl)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.38
▸ LPAR1 Q92633 1/20 0.37
▸ LPAR2 Q9HBW0 1/20 0.37
▸ PAK1 Q13153 2/20 0.35
▸ S100A9 P06702 1/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ NAMPT P43490 2/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ AKT1 P31749 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ RCE1 Q9Y256 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMYD2 Q9NRG4 1/20 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
SCHEMBL2803969 0.87 RPS6KB1 (0.41) FAAHPAK1S100A9ROCK2SCN9A
SCHEMBL2806775 0.83 FAAH (0.51) FAAHPAK1ROCK2SCN9AKMT2A
SCHEMBL2805746 0.83 RAB9A (0.41) LPAR1LPAR2NAMPTMEN1KMT2A
SCHEMBL2805398 0.81 MAPK1 (0.42) SCN9AKMT2A
SCHEMBL2806857 0.78 PKM (0.48) KMT2AATML3MBTL1
SCHEMBL2809003 0.77 MAPT (0.44) SCN9AMEN1KMT2A
SCHEMBL12316156 0.77 SGK1 (0.40) KMT2AL3MBTL1
SCHEMBL12316149 0.77 KMT2A (0.41) MEN1KMT2AL3MBTL1
SCHEMBL2805453 0.76 MET (0.46) PAK1SCN9AMEN1KMT2AATM
SCHEMBL2804490 0.76 HSD11B1 (0.42) PAK1SCN9AKMT2A

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 FAAH 3078/4885LPAR1 3725/4885LPAR2 3382/4885

“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.