SCHEMBL14718698

SCHEMBL14718698

COc1cccc(C2(C)C(=O)Nc3sc(Cl)c(-c4cccc(F)c4)c3C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 9/20 0.43
DRD1 P21728 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PGR P06401 1/20 0.34
ALOX5 P09917 1/20 0.34
PTGS1 P23219 1/20 0.33
CLK1 P49759 1/20 0.33
TP53 P04637 2/20 0.33
MDM2 Q00987 2/20 0.33

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
SCHEMBL14719287 0.96 HTR6 (0.43) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL2159541 0.94 HTR6 (0.41) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL14718531 0.93 HTR6 (0.47) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL2153843 0.91 HTR6 (0.49) HTR6KDM4EALDH1A1LMNAHPGD
SCHEMBL2153510 0.91 HTR6 (0.43) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL14718739 0.91 HTR6 (0.41) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL2153148 0.90 HTR6 (0.51) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL2154223 0.89 HTR6 (0.43) HTR6DRD1HTR1AHTR2AHTR7
SCHEMBL2153269 0.89 HTR6 (0.44) HTR6PGRTP53
SCHEMBL2153349 0.89 HTR6 (0.44) HTR6DRD1HTR1AHTR2AHTR7

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-2519527-B1 THIENO[2,3-B]PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF POXEL (FR) 2013-12-18 EP claimed
US-20130053401-A1 THIENO [2,3-B] PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF POXEL (FR) 2013-02-28 US claimed
US-9365584-B2 Thieno [2,3-B] pyridinedione activators of AMPK and therapeutic uses thereof POXEL (FR) 2016-06-14 US disclosed
EP-2519527-B1 THIENO[2,3-B]PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF POXEL (FR) 2013-12-18 EP disclosed
US-20130053401-A1 THIENO [2,3-B] PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF POXEL (FR) 2013-02-28 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-20130053401-A1 THIENO [2,3-B] PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF PRKAB1, PRKAG1, PRKAB2 HTR6 2378/4885DRD1 4260/4885HTR1A 2734/4885

“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.