Sugi Predict

Sugi Predict / Compounds / SCHEMBL2802723

SCHEMBL2802723

SCHEMBL2802723

Cc1cc(C)c(S(=O)(=O)NC2CCc3c(cnc4[nH]ncc34)C2)c(C)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PAK1 Q13153 2/20 0.37
▸ NR3C1 P04150 4/20 0.35
▸ LMNA P02545 2/20 0.32
▸ NPSR1 Q6W5P4 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ CA1 P00915 2/20 0.32
▸ CA2 P00918 2/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ MMP8 P22894 1/20 0.32
▸ MMP13 P45452 1/20 0.32
▸ TBXA2R P21731 1/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ NR3C2 P08235 1/20 0.31
▸ PDE4B Q07343 1/20 0.31

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
SCHEMBL2803283 0.87 L3MBTL1 (0.35) PAK1KMT2AMEN1
SCHEMBL2803951 0.85 BRD4 (0.39) KMT2AMEN1
SCHEMBL2803941 0.84 ALDH1A1 (0.49) LMNAALDH1A1HTTTBXA2R
SCHEMBL2804951 0.84 ALDH1A1 (0.44) PAK1ALDH1A1HTTTBXA2R
SCHEMBL2804004 0.83 NR1H2 (0.36) NR3C1LMNAKMT2AALDH1A1MEN1
SCHEMBL2805214 0.83 FBP1 (0.39) LMNAALDH1A1HTTTBXA2R
SCHEMBL2807827 0.82 PAK1 (0.36) PAK1LMNAKMT2AALDH1A1HTT
SCHEMBL2803956 0.82 MAPK8 (0.36) LMNACA1CA2PDE4BACHE
SCHEMBL2809138 0.82 MEN1 (0.42) LMNAKMT2AALDH1A1HTTMEN1
SCHEMBL2804144 0.81 TBXA2R (0.42) LMNAALDH1A1TBXA2R

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 717/4885NR3C1 3001/4885LMNA 1591/4885

“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.