SCHEMBL862927

SCHEMBL862927

CCOC(=O)c1ncn(C2CC2)c1I

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
GABRG2 P18507 7/20 0.39
GABRB3 P28472 7/20 0.39
GABRA5 P31644 7/20 0.39
GABRA1 P14867 3/20 0.39
GABRA3 P34903 3/20 0.39
TP53 P04637 1/20 0.38
ALOX12 P18054 1/20 0.38
GABRA2 P47869 3/20 0.38
ELANE P08246 2/20 0.38
GABRA6 Q16445 1/20 0.38
GRK6 P43250 1/20 0.37
GABRB2 P47870 1/20 0.36
OPRM1 P35372 1/20 0.36

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
SCHEMBL840357 0.94 ALDH1A1 (0.44) PDE4AALDH1A1MAPTMEN1GAA
SCHEMBL16268118 0.84 ALDH1A1 (0.42) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL863014 0.83 GRK6 (0.44) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL278250 0.80 ALDH1A1 (0.41) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL841972 0.78 ALDH1A1 (0.44) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL21879851 0.77 ALDH1A1 (0.43) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL31332814 0.74 ALDH1A1 (0.41) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL278381 0.74 GRK6 (0.42) ALDH1A1MAPTMEN1GAAHPGD
SCHEMBL862936 0.74 PDE4A (0.44) PDE4AALDH1A1MAPTGABRG2GABRB3
SCHEMBL16244492 0.71 ADORA3 (0.41) PDE4AALDH1A1TP53ALOX12ELANE

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.