Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802680

SCHEMBL2802680

SCHEMBL2802680

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1cccc2nonc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ JAK3 P52333 1/20 0.44
▸ ALDH1A1 P00352 8/20 0.39
▸ KMT2A Q03164 5/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ MAPK1 P28482 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ GFER P55789 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CHRM1 P11229 1/20 0.36

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
SCHEMBL2804229 0.85 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL2802818 0.81 SGK1 (0.40) ALDH1A1L3MBTL1
SCHEMBL2804182 0.81 SGK1 (0.43) HTTMAPTLMNAGAA
SCHEMBL2803149 0.81 ALDH1A1 (0.47) JAK2JAK1TYK2JAK3ALDH1A1
SCHEMBL2807827 0.81 PAK1 (0.36) ALDH1A1KMT2AHTTMAPTLMNA
SCHEMBL2806810 0.80 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL2804553 0.80 ALDH1A1 (0.39) ALDH1A1KMT2AMEN1LMNAMAPK1
SCHEMBL2805067 0.80 SGK1 (0.41) ALDH1A1L3MBTL1
SCHEMBL2803744 0.80 ALDH1A1 (0.37) ALDH1A1L3MBTL1
SCHEMBL2803100 0.79 SLC22A12 (0.38) —

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 JAK2 372/4885JAK1 2160/4885TYK2 2491/4885

“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.