Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804182

SCHEMBL2804182

SCHEMBL2804182

O=S(=O)(NC1CCc2c(cnc3[nH]ncc23)C1)c1ccccc1F

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SGK1 O00141 7/20 0.43
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ RB1 P06400 1/20 0.39
▸ ALOX5AP P20292 5/20 0.38
▸ FEN1 P39748 5/20 0.38
▸ BRAF P15056 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ HTR6 P50406 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HTT P42858 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ LMNA P02545 1/20 0.35
▸ MAPT P10636 1/20 0.35

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
SCHEMBL2804416 0.89 RB1 (0.37) SGK1RB1DRD2HDAC8HTT
SCHEMBL2803946 0.88 HDAC8 (0.50) SGK1RB1HDAC8
SCHEMBL2803149 0.88 ALDH1A1 (0.47) SGK1RB1HDAC8
SCHEMBL2807827 0.88 PAK1 (0.36) SGK1RB1ALOX5APFEN1HTT
SCHEMBL2805284 0.87 SGK1 (0.46) SGK1
SCHEMBL2803100 0.87 SLC22A12 (0.38) RB1
SCHEMBL2805651 0.86 HDAC8 (0.42) SGK1RB1ALOX5APFEN1HDAC8
SCHEMBL2806444 0.86 SGK1 (0.47) SGK1
SCHEMBL2805612 0.86 HDAC8 (0.40) SGK1DRD2HDAC8
SCHEMBL2805067 0.86 SGK1 (0.41) SGK1RB1DRD2HDAC8

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 SGK1 1977/4885PSEN1 3540/4885PSEN2 3226/4885

“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.