SCHEMBL14717835

SCHEMBL14717835

O=C1CC(=O)c2cc(-c3ccc(F)cc3)sc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP2 O95551 2/20 0.42
PDPK1 O15530 1/20 0.39
IKBKB O14920 5/20 0.36
CHUK O15111 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
CDC7 O00311 1/20 0.35
ROCK1 Q13464 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
RAB9A P51151 1/20 0.35
PRF1 P14222 1/20 0.34
JAK2 O60674 2/20 0.33
WRN Q14191 1/20 0.33
MEN1 O00255 1/20 0.33
EIF2AK2 P19525 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HDAC6 Q9UBN7 1/20 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
SCHEMBL17811463 0.85 CDC7 (0.38) CDC7ROCK1DBF4RAB9AMEN1
SCHEMBL14719196 0.85 PTP4A3 (0.48) TDP2CDC7ROCK1DBF4RAB9A
SCHEMBL14717979 0.69 MEN1 (0.46) CYP2C19RAB9AMEN1KMT2APDE3B
SCHEMBL23326172 0.66 PDE3B (0.58) TDP2CYP1A2CYP2C19MEN1KMT2A
SCHEMBL793215 0.65 CDC7 (0.72) PDPK1CDC7DBF4
SCHEMBL22013811 0.65 PTP4A3 (0.74) TDP2PDPK1IKBKBCHUKCYP1A2
SCHEMBL14718279 0.62 PDE3B (0.38) TDP2MEN1EIF2AK2KMT2APDE3B
SCHEMBL6319355 0.62 GSK3B (0.49) CYP3A4CYP2C9CYP2C19JAK2MAPT
SCHEMBL5843103 0.62 CRBN (0.57) TDP2EIF2AK2PDE3BPDE3A
SCHEMBL1897593 0.62 PDE3B (0.68) TDP2CYP1A2PDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TDP2 3431/4885PDPK1 84/4885IKBKB 717/4885

“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.