SCHEMBL16090764

SCHEMBL16090764

CCc1ccc2c(c1)cc(C#N)n2C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 18/20 0.48
NR1H3 Q13133 3/20 0.47
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
GABRA1 P14867 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRA6 Q16445 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
SCHEMBL16030138 0.89 NR1H2 (0.47) NR1H2NR1H3
SCHEMBL16031735 0.84 NR1H2 (0.43) NR1H2NR1H3GABRG2GABRB3GABRA5
SCHEMBL5677101 0.81 NR1H2 (0.59) NR1H2NR1H3
SCHEMBL19687742 0.80 NR1H2 (0.47) NR1H2NR1H3
SCHEMBL16090783 0.78 NR1H2 (0.40) NR1H2NR1H3GABRG2GABRB3GABRA5
SCHEMBL19687703 0.78 CYP3A4 (0.43) NR1H2NR1H3
SCHEMBL19687739 0.77 RORC (0.46)
SCHEMBL14816842 0.75 NR1H2 (0.45) NR1H2NR1H3
SCHEMBL16090787 0.74 NR1H2 (0.38) NR1H2NR1H3
SCHEMBL16030540 0.73 NR1H2 (0.36) NR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9216993-B2 Compositions comprising thienopyrimidine and thienopyridine compounds and methods of use thereof THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2015-12-22 US disclosed
US-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-18 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-20140275070-A1 COMPOSITIONS COMPRISING THIENOPYRIMIDINE AND THIENOPYRIDINE COMPOUNDS AND METHODS OF USE THEREOF MLLT1, MLLT3, BMI1 NR1H2 4024/4885NR1H3 4252/4885GABRG2 3736/4885

“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.