SCHEMBL841837

SCHEMBL841837

NC(=O)c1ccc2cc3n(c2c1)C=CCc1ccccc1-3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA3 P51812 2/20 0.41
BCAT2 O15382 1/20 0.36
ROCK2 O75116 1/20 0.36
PIM1 P11309 1/20 0.36
PIM3 Q86V86 1/20 0.36
HSD17B3 P37058 1/20 0.35
BAZ2B Q9UIF8 1/20 0.35
BAZ2A Q9UIF9 1/20 0.35
PLAU P00749 1/20 0.35
NOTUM Q6P988 2/20 0.34
LCK P06239 1/20 0.34
KDM4E B2RXH2 1/20 0.34
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 1/20 0.34
BRPF1 P55201 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
RPS6KA2 Q15349 3/20 0.34

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
SCHEMBL3244153 0.89 SRD5A2 (0.43) KDM4EALDH1A1HSD17B10RAB9AMEN1
SCHEMBL4831486 0.83 RPS6KA3 (0.41) RPS6KA3RPS6KA2JAK2JAK1TYK2
SCHEMBL732858 0.82 KMT2A (0.37) KDM4EALDH1A1SMN1; SMN2HSD17B10NPC1
SCHEMBL3945086 0.81 RPS6KA3 (0.40) RPS6KA3BCAT2ROCK2PIM1PIM3
SCHEMBL4823385 0.81 RPS6KA3 (0.41) RPS6KA3NPC1RAB9ARPS6KA2JAK2
SCHEMBL4829827 0.81 RPS6KA3 (0.41) RPS6KA3RPS6KA2JAK2JAK1TYK2
SCHEMBL5329442 0.79 SRD5A2 (0.39) RPS6KA3BCAT2ROCK2PIM1PIM3
SCHEMBL50820 0.78 RPS6KA3 (0.49) RPS6KA3BCAT2ROCK2PIM1PIM3
SCHEMBL4822220 0.77 RPS6KA3 (0.40) RPS6KA3ROCK2PIM1PIM3BAZ2B
SCHEMBL50474 0.72 RPS6KA3 (0.39) RPS6KA3ROCK2PIM1PIM3BAZ2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183252-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2015-01-14 EP claimed
EP-2178878-B1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-03-28 EP claimed
EP-2183252-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2010-05-12 EP claimed
EP-2178878-A1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2010-04-28 EP claimed
US-7652004-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-26 US claimed
US-7642251-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-01-05 US claimed
US-20090074715-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-03-19 US claimed
WO-2009029384-A2 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-05 WO claimed
WO-2009023487-A1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2009-02-19 WO claimed
US-20090042860-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-02-12 US claimed
WO-2007092000-A1 INHIBITORS OF HCV REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2007-08-16 WO claimed
EP-2099804-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-03-22 EP disclosed
EP-2178878-B1 TETRACYCLIC COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2012-03-28 EP disclosed
US-8143243-B2 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[3-(4-morpholinylcarbonyl)-2-pyridinyl]-, 1,1-dimethylethyl ester; 7H-indolo[2,1-a][2]benzazepine-10-carboxylic acid, 13-cyclohexyl-3-methoxy-6-[2-(4-morpholinylcarbonyl)phenyl]-, 1,1-dimethylethyl ester BRISTOL-MYERS SQUIBB COMPANY (US) 2012-03-27 US disclosed
EP-2280975-A1 7H-INDOLOÝ2,1-A¨Ý2¨BENZAZEPINE-10-CARBOXYLIC ACID DERIVATIVES FOR THE TREATMENT OF HEPATITIS C Bristol-Myers Squibb Company (US) 2011-02-09 EP disclosed
US-20080171015-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2008-07-17 US disclosed
WO-2007140254-A2 CYCLOPROPYL FUSED INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-06 WO disclosed
US-20070275947-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-11-29 US disclosed
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US disclosed
WO-2007033175-A1 INDOLOBENZAZEPINE HCV NS5B INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-22 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-20090074715-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RPS6KA3 1278/4885BCAT2 548/4885ROCK2 3590/4885
US-20070078122-A1 Indolobenzazepine HCV NS5B inhibitors HTR3C, IDO1, HTR3B RPS6KA3 2580/4885BCAT2 1095/4885ROCK2 4166/4885
US-20070275947-A1 Cyclopropyl Fused Indolobenzazepine HCV NS5B Inhibitors HAVCR2, ZC3HAV1, HCCS RPS6KA3 1970/4885BCAT2 1750/4885ROCK2 3376/4885
US-20080171015-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RPS6KA3 1278/4885BCAT2 548/4885ROCK2 3590/4885
US-20090042860-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 RPS6KA3 1278/4885BCAT2 548/4885ROCK2 3590/4885

“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.