Sugi Predict

Sugi Predict / Compounds / SCHEMBL862936

SCHEMBL862936

SCHEMBL862936

CCOC(=O)c1ncn(C(C)C)c1I

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ ADORA1 P30542 1/20 0.40
▸ GABRA1 P14867 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ GABRB2 P47870 2/20 0.39
▸ CYP11B1 P15538 2/20 0.39
▸ CYP11B2 P19099 2/20 0.39
▸ GABRA2 P47869 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ABCB11 O95342 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TSHR P16473 1/20 0.38
▸ ADRB2 P07550 1/20 0.38

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
SCHEMBL862728 0.82 ADORA3 (0.46) ALDH1A1MAPTADORA3ADORA2AADORA1
SCHEMBL841581 0.79 CYP1A2 (0.39) ALDH1A1MAPTGABRA1CYP1A2CYP3A4
SCHEMBL23422042 0.75 ALDH1A1 (0.43) ALDH1A1MAPTGABRA1CYP1A2CYP3A4
SCHEMBL862927 0.74 PDE4A (0.42) PDE4AALDH1A1MAPTGABRA1GABRB2
SCHEMBL841349 0.73 CYP1A2 (0.42) ALDH1A1MAPTADORA3ADORA2AADORA1
SCHEMBL5727138 0.72 ALDH1A1 (0.48) ALDH1A1MAPTADORA3ADORA2AADORA1
SCHEMBL840357 0.71 ALDH1A1 (0.44) PDE4AALDH1A1MAPTGABRA1CYP1A2
SCHEMBL5990662 0.71 ALDH1A1 (0.47) ALDH1A1MAPTADORA3ADORA2AADORA1
SCHEMBL10643754 0.70 GABRA1 (0.54) ALDH1A1MAPTGABRA1GABRA2KDM5B
SCHEMBL16244683 0.70 ADORA3 (0.55) PDE4AALDH1A1ADORA3ADORA2AADORA1

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 PDE4A 2775/4885ALDH1A1 163/4885MAPT 4368/4885

“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.