Sugi Predict

Sugi Predict / Compounds / SCHEMBL862940

SCHEMBL862940

SCHEMBL862940

CCOC(=O)c1c(C2=Cc3cc(OC)ccc3-c3c(C4CCCCC4)c4ccc(C(=O)O)cc4n3C2)ncn1C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.38
▸ PRKCA P17252 1/20 0.36
▸ MMP12 P39900 1/20 0.36
▸ CYP3A4 P08684 3/20 0.35
▸ SCN5A Q14524 2/20 0.35
▸ NR1I2 O75469 6/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GABRA1 P14867 1/20 0.32

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
SCHEMBL862734 0.93 KCNH2 (0.37) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL862935 0.91 KCNH2 (0.38) KCNH2PRKCAMMP12CYP3A4SCN5A
SCHEMBL278405 0.90 KCNH2 (0.40) KCNH2PRKCAMMP12CYP3A4SCN5A
SCHEMBL862735 0.89 NR1I2 (0.49) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL862956 0.85 KCNH2 (0.37) KCNH2CYP3A4SCN5ANR1I2KMT2A
SCHEMBL13531073 0.85 KCNH2 (0.38) KCNH2PRKCAMMP12CYP3A4SCN5A
SCHEMBL863090 0.85 KCNH2 (0.38) KCNH2PRKCAMMP12CYP3A4SCN5A
SCHEMBL862669 0.84 KCNH2 (0.38) KCNH2PRKCAMMP12CYP3A4SCN5A
SCHEMBL862732 0.84 KCNH2 (0.40) KCNH2PRKCAMMP12CYP3A4SCN5A
SCHEMBL277905 0.84 KCNH2 (0.38) KCNH2CYP3A4SCN5ANR1I2CYP2C9

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
WO-2010093359-A1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-19 — — WO disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 — — US disclosed
US-20090275561-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2009-11-05 — — US 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-20090275561-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 KCNH2 3808/4885PRKCA 2143/4885MMP12 1631/4885

“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.