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Sugi Predict / Compounds / SCHEMBL2487956

SCHEMBL2487956

SCHEMBL2487956

CN1CCN(C(=O)c2cccc(NC(=O)N3CCc4c(cnc5[nH]ncc45)C3)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ EPHX2 P34913 2/20 0.45
▸ PAK1 Q13153 1/20 0.43
▸ NTRK1 P04629 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PDGFRB P09619 3/20 0.42
▸ KDR P35968 3/20 0.42
▸ IGF1R P08069 1/20 0.42
▸ CCNT1 O60563 1/20 0.42
▸ CCNE1 P24864 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ ATR Q13535 1/20 0.42
▸ MAPT P10636 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40

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
SCHEMBL2802904 0.93 RAB9A (0.46) NPC1RAB9APAK1L3MBTL1PDGFRB
SCHEMBL2487747 0.91 NAMPT (0.50) NPC1RAB9APAK1L3MBTL1PDGFRB
SCHEMBL2806850 0.91 RAB9A (0.60) NPC1RAB9APAK1PDGFRBKDR
SCHEMBL2487737 0.89 NPC1 (0.49) NPC1RAB9APAK1PDGFRBKDR
SCHEMBL2807727 0.88 PAK1 (0.46) NPC1RAB9APAK1L3MBTL1ATR
SCHEMBL2806186 0.88 FAAH (0.48) NPC1RAB9APAK1KDM4EPDGFRB
SCHEMBL2805199 0.88 NAMPT (0.54) KDM4EMEN1KMT2ANAMPT
SCHEMBL2805025 0.88 NPC1 (0.42) NPC1RAB9APAK1L3MBTL1PDGFRB
SCHEMBL2488604 0.87 BRAF (0.52) NPC1RAB9APAK1PDGFRBKDR
SCHEMBL2808230 0.87 PAK1 (0.46) NPC1RAB9APAK1NTRK1L3MBTL1

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 NPC1 205/4885RAB9A 1240/4885EPHX2 2353/4885

“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.