Sugi Predict

Sugi Predict / Compounds / SCHEMBL862728

SCHEMBL862728

SCHEMBL862728

CCOC(=O)c1ncn(C(C)C)c1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.46
▸ ADORA2A P29274 2/20 0.46
▸ ADORA1 P30542 2/20 0.46
▸ ALDH1A1 P00352 5/20 0.43
▸ MAPT P10636 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ CYP1A2 P05177 4/20 0.41
▸ HPGD P15428 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ CYP3A4 P08684 3/20 0.39
▸ GABRA1 P14867 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39

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
SCHEMBL5672320 0.84 ADORA3 (0.39) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL862936 0.82 PDE4A (0.44) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL1990691 0.80 ALDH1A1 (0.46) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL841349 0.79 CYP1A2 (0.42) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL3174463 0.79 ALDH1A1 (0.43) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL1741495 0.79 ADA (0.52) ALDH1A1KDM4ESMN1; SMN2CYP1A2HSD17B10
SCHEMBL1992837 0.78 ALDH1A1 (0.45) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL6691811 0.77 ALDH1A1 (0.54) ADORA2AADORA1ALDH1A1MAPTKDM4E
SCHEMBL7950773 0.77 NPC1 (0.42) ADORA3ADORA2AADORA1ALDH1A1MAPT
SCHEMBL14584079 0.76 ELANE (0.44) ADORA3ADORA2AADORA1ALDH1A1MAPT

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 ADORA3 2144/4885ADORA2A 2326/4885ADORA1 2845/4885

“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.