Sugi Predict

Sugi Predict / Compounds / SCHEMBL925855

SCHEMBL925855

SCHEMBL925855

COC(=O)c1ccc2c(C3CCCCC3)c3n(c2c1)CC(=O)Nc1ccccc1-3

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 2/20 0.46
▸ CCNB2 O95067 1/20 0.46
▸ CCNB1 P14635 1/20 0.46
▸ MDH2 P40926 1/20 0.46
▸ GSK3B P49841 1/20 0.46
▸ CCNB3 Q8WWL7 1/20 0.46
▸ CREBBP Q92793 2/20 0.45
▸ BRD4 O60885 1/20 0.45
▸ NR1I2 O75469 2/20 0.42
▸ PRKCA P17252 1/20 0.42
▸ MMP12 P39900 1/20 0.42
▸ SCN9A Q15858 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ OPRL1 P41146 1/20 0.40
▸ CNR2 P34972 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
SCHEMBL3576170 0.91 CREBBP (0.46) CDK1CCNB2CCNB1MDH2GSK3B
SCHEMBL923845 0.90 NR1I2 (0.44) CDK1CCNB2CCNB1MDH2GSK3B
SCHEMBL14572868 0.89 ALDH1A1 (0.41) CREBBPBRD4NR1I2SCN9AALDH1A1
SCHEMBL874916 0.89 PRKCA (0.50) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL804034 0.88 ALDH1A1 (0.40) CREBBPBRD4NR1I2SCN9AALDH1A1
SCHEMBL14572863 0.88 NR1I2 (0.42) CREBBPBRD4NR1I2SCN9AALDH1A1
SCHEMBL4831754 0.87 CREBBP (0.39) GSK3BCREBBPBRD4NR1I2SCN9A
SCHEMBL14435330 0.87 PRKCA (0.43) CDK1CCNB2CCNB1GSK3BCCNB3
SCHEMBL991506 0.86 PRKCA (0.39) CDK1CCNB2CCNB1MDH2GSK3B
SCHEMBL14253180 0.86 SCN9A (0.39) CREBBPBRD4NR1I2PRKCAMMP12

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431568-B2 Aromatic heterocyclic fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 — — US disclosed
US-8431568-B2 Aromatic heterocyclic fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 — — US disclosed
US-8431568-B2 Aromatic heterocyclic fused indolobenzadiazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 — — US disclosed
EP-2278977-B1 AROMATIC HETEROCYCLIC FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2011-11-02 — — EP disclosed
US-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 — — US disclosed
US-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 — — US disclosed
US-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 — — US disclosed
WO-2009120650-A1 AROMATIC HETEROCYCLIC FUSED INDOLOBENZADIAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-10-01 — — WO disclosed
US-20090149526-A1 Tetracyclic Indole Derivatives as Antiviral Agents ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2009-06-11 — — US disclosed
EP-1926733-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Ricerche di Biologia Molecolare P. Angeletti (IT) 2008-06-04 — — EP disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 — — WO disclosed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 — — WO disclosed
EP-1776368-A1 INHIBITORS OF HCV REPLICATION Bristol-Myers Squibb Company (US) 2007-04-25 — — EP disclosed
WO-2007029029-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2007-03-15 — — WO disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 — — US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 — — US disclosed
US-7153848-B2 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-26 — — US disclosed
US-20060166964-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-07-27 — — US disclosed
US-20060046983-A1 Inhibitors of HCV replication BRISTOL-MYERS SQUIBB COMPANY 2006-03-02 — — US disclosed
WO-2006020082-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-23 — — 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 (5 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 CDK1 725/4885CCNB2 2923/4885CCNB1 1913/4885
US-20090149526-A1 Tetracyclic Indole Derivatives as Antiviral Agents IDO1, ZC3HAV1, ZC3HAV1L CDK1 203/4885CCNB2 502/4885CCNB1 212/4885
US-20060166964-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 CDK1 72/4885CCNB2 267/4885CCNB1 144/4885
US-20110014154-A1 Aromatic Heterocyclic Fused Indolobenzadiazepine HCV NS5B Inhibitors HAVCR2, NSD2, ZC3HAV1 CDK1 897/4885CCNB2 1751/4885CCNB1 1103/4885
US-20060046983-A1 Inhibitors of HCV replication EIF2AK2, HCCS, IDO1 CDK1 72/4885CCNB2 267/4885CCNB1 144/4885

“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.