SCHEMBL6480804

SCHEMBL6480804

OC[C@@H](O)c1ccncc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.42
CYP19A1 P11511 2/20 0.42
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP2C19 P33261 2/20 0.39
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
TSHR P16473 2/20 0.38
HTR3A P46098 1/20 0.38
NFKB1 P19838 1/20 0.38
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
IDO1 P14902 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL1516192 1.00 CYP3A4 (0.42) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL348431 1.00 CYP3A4 (0.42) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL3822979 0.81 CYP19A1 (0.40) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL3183323 0.81 CYP19A1 (0.40) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL2382554 0.81 CYP19A1 (0.40) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL17438169 0.81 TSHR (0.48) CYP3A4KDM4ETAAR1TSHRHTR3A
SCHEMBL3851200 0.80 TAAR1 (0.60) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL6579025 0.79 CYP3A4 (0.38) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL25314645 0.78 LMNA (0.60) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2
SCHEMBL294423 0.78 LMNA (0.60) CYP3A4CYP19A1CYP17A1CYP11B1CYP11B2

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
WO-2005003140-A1 4-OXO-4,7-DIHYDROTHIENO[2,3-B]PYRIDINE-5-CARBOXAMIDES AS ANTIVIRAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2005-01-13 WO disclosed
US-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents AGOURON PHARMACEUTICALS, INC. 2005-01-06 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-20050004161-A1 4-oxo-4,7-dihydrothieno[2,3-b]pyridine-5-carboxamides as antiviral agents ZC3HAV1, IRF3, BRD4 CYP3A4 269/4885CYP19A1 2593/4885CYP17A1 4011/4885

“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.