Sugi Predict

Sugi Predict / Compounds / SCHEMBL2807827

SCHEMBL2807827

SCHEMBL2807827

Cc1ccccc1S(=O)(=O)NC1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 4/20 0.36
▸ HSD11B1 P28845 1/20 0.35
▸ PKM P14618 2/20 0.35
▸ RB1 P06400 1/20 0.35
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ SGK1 O00141 2/20 0.34
▸ NR1H2 P55055 1/20 0.34
▸ ACHE P22303 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ TBXA2R P21731 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL2806231 0.89 KDM4E (0.37) PAK1RB1CA1CA2TBXA2R
SCHEMBL2803951 0.88 BRD4 (0.39) HSD11B1SGK1BRD4KMT2A
SCHEMBL2803283 0.88 L3MBTL1 (0.35) PAK1SGK1BRD4KMT2A
SCHEMBL2803149 0.88 ALDH1A1 (0.47) PAK1RB1CA1CA2SGK1
SCHEMBL2804182 0.88 SGK1 (0.43) RB1SGK1LMNAMAPTHTT
SCHEMBL2806698 0.86 HDAC8 (0.40) PAK1RB1SGK1ALDH1A1POLB
SCHEMBL2802832 0.86 USP30 (0.43) HSD11B1RB1SGK1BRD4
SCHEMBL2803744 0.86 ALDH1A1 (0.37) PAK1HSD11B1CA1CA2SGK1
SCHEMBL2803100 0.85 SLC22A12 (0.38) RB1NR1H2BRD4
SCHEMBL2489862 0.85 RB1 (0.43) RB1CA1CA2TBXA2RCCNE2

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 PAK1 717/4885HSD11B1 1915/4885PKM 1722/4885

“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.