Sugi Predict

Sugi Predict / Compounds / SCHEMBL2806247

SCHEMBL2806247

SCHEMBL2806247

O=C(Nc1cccc(Oc2ccccc2)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDGFRB P09619 1/20 0.52
▸ NPC1 O15118 5/20 0.50
▸ RAB9A P51151 5/20 0.50
▸ BRS3 P32247 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ GPR142 Q7Z601 1/20 0.48
▸ GOT1 P17174 1/20 0.48
▸ FAAH O00519 6/20 0.47
▸ PAK1 Q13153 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ FLT3 P36888 1/20 0.42

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
SCHEMBL2805744 0.95 PDGFRB (0.48) PDGFRBNPC1RAB9ABRS3ALDH1A1
SCHEMBL2802809 0.92 PDGFRB (0.62) PDGFRBNPC1RAB9AFAAHPAK1
SCHEMBL2802299 0.90 NPC1 (0.61) NPC1RAB9AALDH1A1MAPTMAPK1
SCHEMBL2486602 0.88 RAB9A (0.55) PDGFRBNPC1RAB9AALDH1A1MAPK1
SCHEMBL2804020 0.86 PDGFRB (0.47) PDGFRBNPC1RAB9AALDH1A1MAPT
SCHEMBL2488604 0.86 BRAF (0.52) PDGFRBNPC1RAB9APAK1TP53
SCHEMBL2487737 0.86 NPC1 (0.49) PDGFRBNPC1RAB9AFAAHPAK1
SCHEMBL2490803 0.86 NPC1 (0.44) PDGFRBNPC1RAB9ABRS3GPR142
SCHEMBL2486169 0.85 PDGFRB (0.44) PDGFRBNPC1RAB9AMAPTFAAH
SCHEMBL2803952 0.85 TRPV1 (0.56) NPC1RAB9AALDH1A1MAPTMAPK1

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 PDGFRB 1363/4885NPC1 205/4885RAB9A 1240/4885

“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.