Sugi Predict

Sugi Predict / Compounds / SCHEMBL2804460

SCHEMBL2804460

SCHEMBL2804460

O=C(Nc1cccc(C(=O)N2CCCCC2CO)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 3/20 0.44
▸ PAK1 Q13153 5/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ MAPT P10636 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP8 Q96LD8 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ HSD11B1 P28845 2/20 0.37
▸ HSD17B1 P14061 1/20 0.37
▸ ROCK2 O75116 1/20 0.36
▸ IRAK4 Q9NWZ3 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
SCHEMBL2807727 0.86 PAK1 (0.46) NAMPTPAK1NPC1RAB9AMAPT
SCHEMBL2802904 0.85 RAB9A (0.46) NAMPTPAK1NPC1RAB9AMEN1
SCHEMBL2803450 0.85 PAK1 (0.42) NAMPTPAK1NPC1RAB9ALMNA
SCHEMBL2803966 0.83 PAK1 (0.47) NAMPTPAK1NPC1RAB9A
SCHEMBL2804404 0.83 PAK1 (0.47) NAMPTPAK1NPC1RAB9A
SCHEMBL2487747 0.83 NAMPT (0.50) NAMPTPAK1NPC1RAB9AMEN1
SCHEMBL2487956 0.82 NPC1 (0.48) NAMPTPAK1NPC1RAB9AMAPT
SCHEMBL2805025 0.82 NPC1 (0.42) NAMPTPAK1NPC1RAB9AKMT2A
SCHEMBL2808230 0.82 PAK1 (0.46) NAMPTPAK1NPC1RAB9AL3MBTL1
SCHEMBL2487737 0.82 NPC1 (0.49) PAK1NPC1RAB9AMEN1KMT2A

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 NAMPT 212/4885PAK1 717/4885NPC1 205/4885

“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.