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Sugi Predict / Compounds / SCHEMBL2486602

SCHEMBL2486602

SCHEMBL2486602

O=C(Nc1ccccc1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.55
▸ NPC1 O15118 4/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.55
▸ TP53 P04637 1/20 0.55
▸ PDGFRB P09619 2/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ THRB P10828 1/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ GAA P10253 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TAS1R3 Q7RTX0 1/20 0.46
▸ TAS1R1 Q7RTX1 1/20 0.46
▸ TAS1R2 Q8TE23 1/20 0.46
▸ PAK1 Q13153 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ TRPV1 Q8NER1 3/20 0.43
▸ PTGDR2 Q9Y5Y4 1/20 0.43

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
SCHEMBL2488604 0.91 BRAF (0.52) RAB9ANPC1SMN1; SMN2TP53PDGFRB
SCHEMBL2802809 0.91 PDGFRB (0.62) RAB9ANPC1SMN1; SMN2TP53PDGFRB
SCHEMBL12342043 0.89 MEN1 (0.55) PDGFRBROCK2MEN1KMT2AGAA
SCHEMBL2487737 0.89 NPC1 (0.49) RAB9ANPC1SMN1; SMN2TP53PDGFRB
SCHEMBL2806247 0.88 PDGFRB (0.52) RAB9ANPC1SMN1; SMN2TP53PDGFRB
SCHEMBL2486169 0.88 PDGFRB (0.44) RAB9ANPC1SMN1; SMN2TP53PDGFRB
SCHEMBL2805002 0.88 PAK1 (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2803952 0.88 TRPV1 (0.56) RAB9ANPC1SMN1; SMN2ALDH1A1PAK1
SCHEMBL2806010 0.88 TRPV1 (0.56) RAB9ANPC1TP53THRBMEN1
SCHEMBL2805561 0.88 KDR (0.51) RAB9ANPC1SMN1; SMN2PDGFRBMEN1

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 9 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
EP-2379551-A1 SUBSTITUTED PYRAZOLO [3, 4-B]PYRIDINE COMPOUNDS ArQule, Inc. (US) 2011-10-26 — — EP 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
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.