SCHEMBL5462003

SCHEMBL5462003

O=C(O)c1cc(=O)[nH]c2ccsc12

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.57
DAO P14920 3/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PARP1 P09874 2/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
CSNK2A1 P68400 1/20 0.43
HPGD P15428 1/20 0.40
FEN1 P39748 2/20 0.37
SPR P35270 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
SCHEMBL7302300 0.77 PDPK1 (0.62) PDPK1DAOKDM4EALDH1A1GAA
SCHEMBL31297662 0.74 PDPK1 (0.65) PDPK1DAOKDM4EALDH1A1GAA
SCHEMBL31549260 0.73 F7 (0.43) DAOKDM4EALDH1A1POLBTDP1
SCHEMBL22144475 0.73 PDPK1 (0.62) PDPK1DAOALDH1A1PARP1CSNK2A2
SCHEMBL4146436 0.70 DAO (0.61) DAOKDM4EALDH1A1POLBGAA
SCHEMBL2793777 0.69 CYP3A4 (0.50) DAOKDM4EALDH1A1GAACSNK2A2
SCHEMBL7308279 0.69 PARP1 (0.47) PDPK1DAOKDM4ETDP1PARP1
SCHEMBL30172555 0.68 KDM4E (0.63) KDM4EALDH1A1POLBGAATDP1
SCHEMBL8729784 0.68 KDM4E (0.63) KDM4EALDH1A1POLBGAATDP1
SCHEMBL29804928 0.68 PARP1 (0.46) PDPK1DAOKDM4ETDP1PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11584755-B2 Dihydrothieno[3,2-b]pyridine compounds IDEAYA BIOSCIENCES, INC. (US) 2023-02-21 US disclosed
US-20220227780-A1 DIHYDROTHIENO[3,2-b]PYRIDINE COMPOUNDS IDEAYA BIOSCIENCES, INC. 2022-07-21 US disclosed
US-20070105943-A1 Novel antifungal agent containing heterocyclic compound EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-05-10 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 (3 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-20070105943-A1 Novel antifungal agent containing heterocyclic compound ERG28, DPM1, CYP51A1 PDPK1 1851/4885DAO 59/4885KDM4E 3245/4885
US-11584755-B2 Dihydrothieno[3,2-b]pyridine compounds DHFR, CYC1, CYCS PDPK1 1441/4885DAO 2633/4885KDM4E 3956/4885
US-20220227780-A1 DIHYDROTHIENO[3,2-b]PYRIDINE COMPOUNDS DHFR, CYC1, CYCS PDPK1 1441/4885DAO 2633/4885KDM4E 3956/4885

“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.