Sugi Predict

Sugi Predict / Compounds / SCHEMBL862937

SCHEMBL862937

SCHEMBL862937

CCn1nc(C)c(C2=Cc3cc(OC)ccc3-c3c(C4CCCCC4)c4ccc(C(=O)OC(C)(C)C)cc4n3C2)c1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 7/20 0.37
▸ CYP3A4 P08684 3/20 0.37
▸ SCN5A Q14524 2/20 0.37
▸ NR1I2 O75469 6/20 0.36
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SCN9A Q15858 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
SCHEMBL863153 0.92 KCNH2 (0.38) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL862916 0.90 KCNH2 (0.37) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL862707 0.87 KCNH2 (0.36) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL863009 0.87 KCNH2 (0.49) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL862696 0.84 KCNH2 (0.38) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL862963 0.83 KCNH2 (0.36) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL862879 0.83 KCNH2 (0.36) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL862679 0.83 KCNH2 (0.38) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL863029 0.82 KCNH2 (0.39) KCNH2CYP3A4SCN5ANR1I2CYP2C9
SCHEMBL862917 0.82 KCNH2 (0.39) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2396329-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-10-29 — — EP disclosed
EP-2396329-B1 COMPOUNDS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2014-10-29 — — 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
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 3808/4885CYP3A4 214/4885SCN5A 4311/4885

“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.