SCHEMBL4059322

SCHEMBL4059322

CC(=O)c1c(C)nc2sc3c(c2c1-c1ccccc1)CCN(C(=O)OC(C)(C)C)C3

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 6/20 0.52
PRKCI P41743 3/20 0.51
MKNK1 Q9BUB5 8/20 0.49
ADORA1 P30542 1/20 0.48

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
SCHEMBL4067002 0.90 WEE1 (0.44) P2RX3PRKCIMKNK1
SCHEMBL27689861 0.88 MAPT (0.42) PRKCI
SCHEMBL27689851 0.81 KMT2A (0.40)
SCHEMBL27689854 0.80 KMT2A (0.44)
SCHEMBL9598331 0.79 ADORA1 (0.64) P2RX3PRKCIMKNK1ADORA1
SCHEMBL4065671 0.79 ALDH1A1 (0.40)
SCHEMBL4055917 0.77 KMT2A (0.56)
SCHEMBL13739821 0.74 FABP4 (0.52) P2RX3PRKCIMKNK1ADORA1
SCHEMBL4059076 0.74 SIGMAR1 (0.43)
SCHEMBL7885804 0.73 MKNK1 (0.49) P2RX3PRKCIMKNK1ADORA1

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
EP-1828199-B1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS HOFFMANN LA ROCHE (CH) 2009-05-06 EP disclosed
US-7390903-B2 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. (US) 2008-06-24 US disclosed
EP-1828199-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F. Hoffmann-Roche AG (CH) 2007-09-05 EP disclosed
US-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors HOFFMANN-LA ROCHE INC. 2006-06-22 US disclosed
WO-2006063732-A1 THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS F.HOFFMANN-LA ROCHE AG (CH) 2006-06-22 WO 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-20060135552-A1 Thieno-pyridine derivatives as allosteric enhancers of the GABAB receptors GABBR1, CHRNA5, CHRNA3 P2RX3 58/4885PRKCI 1117/4885MKNK1 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.