Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804229

SCHEMBL2804229

SCHEMBL2804229

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1cccc2nsnc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ CASP6 P55212 2/20 0.40
▸ CTDSP1 Q9GZU7 2/20 0.40
▸ DUSP3 P51452 1/20 0.40
▸ PTPN5 P54829 1/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ POLB P06746 3/20 0.38
▸ MAPT P10636 2/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL2802680 0.85 JAK2 (0.44) ALDH1A1SMN1; SMN2POLBMAPTMEN1
SCHEMBL2802818 0.81 SGK1 (0.40) ALDH1A1
SCHEMBL2804182 0.81 SGK1 (0.43) MAPTLMNANPSR1
SCHEMBL2803149 0.81 ALDH1A1 (0.47) ALDH1A1MEN1KMT2A
SCHEMBL2807827 0.81 PAK1 (0.36) ALDH1A1POLBMAPTKMT2APKM
SCHEMBL2806810 0.80 ALDH1A1 (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL2804553 0.80 ALDH1A1 (0.39) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL2803744 0.80 ALDH1A1 (0.37) ALDH1A1
SCHEMBL2805067 0.80 SGK1 (0.41) ALDH1A1
SCHEMBL2802218 0.79 TRPV1 (0.43) ALDH1A1SMN1; SMN2MAPTKDM4EMEN1

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 ALDH1A1 460/4885SMN1; SMN2 1523/4885CASP6 1649/4885

“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.