Sugi Predict

Sugi Predict / Compounds / SCHEMBL2803761

SCHEMBL2803761

SCHEMBL2803761

O=C(Nc1ccccc1)N1CCc2c(cnc3[nH]nc(Br)c23)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 13/20 0.52
▸ NPC1 O15118 11/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ TP53 P04637 1/20 0.52
▸ PDGFRB P09619 1/20 0.46
▸ THRB P10828 1/20 0.45
▸ TRPV1 Q8NER1 2/20 0.44
▸ ROCK2 O75116 2/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ TAS1R3 Q7RTX0 1/20 0.43
▸ TAS1R1 Q7RTX1 1/20 0.43
▸ TAS1R2 Q8TE23 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ MAPK1 P28482 1/20 0.42
▸ CASP3 P42574 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41

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
SCHEMBL2804674 0.89 BRS3 (0.50) RAB9ANPC1SMN1; SMN2TP53PDGFRB
SCHEMBL2512524 0.87 NPC1 (0.51) RAB9ANPC1SMN1; SMN2TP53PDGFRB
SCHEMBL2486919 0.86 NPC1 (0.58) RAB9ANPC1SMN1; SMN2THRBALDH1A1
SCHEMBL2488267 0.82 NPC1 (0.47) RAB9ANPC1SMN1; SMN2TP53PDGFRB
SCHEMBL12316013 0.81 NAMPT (0.52) RAB9ANPC1SMN1; SMN2TP53PDGFRB
SCHEMBL2803749 0.81 THRB (0.53) RAB9ANPC1SMN1; SMN2TP53PDGFRB
SCHEMBL2488480 0.81 P2RX7 (0.33) PDGFRBKMT2AMEN1ALDH1A1GAA
SCHEMBL2511773 0.81 MAPT (0.43) RAB9ANPC1TP53MAPT
SCHEMBL2802543 0.81 MAPT (0.43) RAB9ANPC1SMN1; SMN2ROCK2KMT2A
SCHEMBL2805950 0.80 NAMPT (0.47) RAB9ANPC1SMN1; SMN2TP53PDGFRB

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 RAB9A 1240/4885NPC1 205/4885SMN1; SMN2 1523/4885

“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.