Sugi Predict

Sugi Predict / Compounds / SCHEMBL2487747

SCHEMBL2487747

SCHEMBL2487747

O=C(Nc1cccc(C(=O)N2CCN(CCO)CC2)c1)N1CCc2c(cnc3[nH]ncc23)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 6/20 0.50
▸ NPC1 O15118 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ PARP1 P09874 3/20 0.42
▸ PAK1 Q13153 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ BMPR1B O00238 1/20 0.40
▸ BMPR1A P36894 1/20 0.40
▸ TGFBR1 P36897 1/20 0.40
▸ ACVRL1 P37023 1/20 0.40
▸ ACVR1 Q04771 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ FAAH O00519 1/20 0.39
▸ PDGFRB P09619 2/20 0.38
▸ KDR P35968 2/20 0.38
▸ PRKAB2 O43741 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ PRKAA2 P54646 1/20 0.38
▸ PRKAA1 Q13131 1/20 0.38

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
SCHEMBL2487956 0.91 NPC1 (0.48) NAMPTNPC1RAB9APAK1L3MBTL1
SCHEMBL2802904 0.90 RAB9A (0.46) NAMPTNPC1RAB9APAK1L3MBTL1
SCHEMBL2807727 0.89 PAK1 (0.46) NAMPTNPC1RAB9APAK1L3MBTL1
SCHEMBL2805025 0.88 NPC1 (0.42) NAMPTNPC1RAB9APAK1L3MBTL1
SCHEMBL2483703 0.87 NPC1 (0.46) NAMPTNPC1RAB9APAK1FAAH
SCHEMBL2804740 0.86 MEN1 (0.47) NAMPTNPC1RAB9APAK1FAAH
SCHEMBL2806186 0.86 FAAH (0.48) NPC1RAB9APAK1FAAHPDGFRB
SCHEMBL2806251 0.86 EPHX2 (0.47) NAMPTNPC1RAB9APARP1PAK1
SCHEMBL2806850 0.86 RAB9A (0.60) NPC1RAB9APAK1PDGFRBKDR
SCHEMBL2487737 0.86 NPC1 (0.49) NPC1RAB9APAK1FAAHPDGFRB

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 NAMPT 212/4885NPC1 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.