Sugi Predict

Sugi Predict / Compounds / SCHEMBL1536419

SCHEMBL1536419

SCHEMBL1536419

c1ccc2cc(C3CC3)ncc2c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.47
▸ CYP2A6 P11509 1/20 0.47
▸ PDPK1 O15530 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPC1 O15118 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ADORA2A P29274 2/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ GRM4 Q14833 1/20 0.40
▸ ABL1 P00519 1/20 0.40
▸ HTR3A P46098 1/20 0.40
▸ PLAU P00749 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ POLB P06746 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.36

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
SCHEMBL3076096 0.92 L3MBTL1 (0.51) CYP1A2CYP2A6PDPK1L3MBTL1NPC1
SCHEMBL22288174 0.92 L3MBTL1 (0.56) CYP1A2CYP2A6PDPK1L3MBTL1NPC1
SCHEMBL22288137 0.90 L3MBTL1 (0.58) CYP1A2CYP2A6PDPK1L3MBTL1NPC1
SCHEMBL30452394 0.90 L3MBTL1 (0.58) CYP1A2CYP2A6PDPK1L3MBTL1NPC1
SCHEMBL20623030 0.90 L3MBTL1 (0.58) CYP1A2CYP2A6PDPK1L3MBTL1NPC1
SCHEMBL12533933 0.88 CYP1A2 (0.47) CYP1A2CYP2A6PDPK1L3MBTL1NPC1
SCHEMBL12533940 0.88 CYP1A2 (0.47) CYP1A2CYP2A6PDPK1L3MBTL1NPC1
SCHEMBL12533934 0.88 CYP1A2 (0.47) CYP1A2CYP2A6PDPK1L3MBTL1NPC1
SCHEMBL12533935 0.88 CYP1A2 (0.47) CYP1A2CYP2A6PDPK1L3MBTL1NPC1
SCHEMBL5241881 0.87 BCHE (0.45) CYP1A2CYP2A6PDPK1L3MBTL1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9636375-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-05-02 — — US disclosed
US-20160067302-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-03-10 — — US disclosed
US-9227940-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-05 — — US disclosed
US-20150005342-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-01-01 — — US disclosed
US-8889871-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-11-18 — — US disclosed
US-20140163231-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2014-06-12 — — US disclosed
US-8710229-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-04-29 — — US disclosed
US-20130267713-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2013-10-10 — — US disclosed
US-8507722-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-08-13 — — US disclosed
US-20120330019-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2012-12-27 — — US disclosed
US-7449479-B2 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid BRISTOL-MYERS SQUIBB COMPANY (US) 2008-11-11 — — US disclosed
CN-101024671-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-08-29 — — CN disclosed
CN-1974596-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-06-06 — — CN disclosed
CN-1299677-C Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-02-14 — — CN disclosed
US-20060172950-A1 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid WANG XIANGDONG A 2006-08-03 — — US disclosed
US-6995174-B2 for inhibiting proteases BRISTOL-MYERS SQUIBB COMPANY (US) 2006-02-07 — — US disclosed
CN-1668297-A Hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2005-09-14 — — CN disclosed
EP-1505963-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2005-02-16 — — EP disclosed
US-20040106559-A1 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-06-03 — — US disclosed
WO-2003099274-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-12-04 — — 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 (7 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-20160067302-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP1A2 161/4885CYP2A6 282/4885PDPK1 3889/4885
US-20150005342-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP1A2 161/4885CYP2A6 282/4885PDPK1 3889/4885
US-20130267713-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP1A2 161/4885CYP2A6 282/4885PDPK1 3889/4885
US-20040106559-A1 Hepatitis C virus inhibitors HAVCR2, HCCS, RNASE1 CYP1A2 138/4885CYP2A6 325/4885PDPK1 3120/4885
US-20140163231-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP1A2 161/4885CYP2A6 282/4885PDPK1 3889/4885
US-20120330019-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, CTRB1 CYP1A2 161/4885CYP2A6 282/4885PDPK1 3889/4885
US-20060172950-A1 Serine protease inhibition via 1-{[1-(2-Methoxycarbonylamino-3,3-dimethyl-butyryl)-4-(7-methoxy-2-phenyl-quinolin-4-yloxy)-pyrrolidine-2-carbonyl]-amino}-2-vinyl-cyclopropanecarboxylic acid PRSS1, CTRL, CTRB1 CYP1A2 1344/4885CYP2A6 1226/4885PDPK1 2111/4885

“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.