SCHEMBL6492136

SCHEMBL6492136

OC[C@@H](O)COc1ncccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
MAPK1 P28482 1/20 0.49
CYP1A2 P05177 3/20 0.47
KDM4E B2RXH2 2/20 0.47
LMNA P02545 2/20 0.47
AGTR1 P30556 1/20 0.47
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C19 P33261 1/20 0.44
FGFR1 P11362 1/20 0.37
AR P10275 1/20 0.37
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KCNA5 P22460 2/20 0.33
HPGD P15428 1/20 0.33
PIK3CG P48736 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNJ5 P48544 1/20 0.33
KCNJ3 P48549 1/20 0.33
SCN5A Q14524 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
SCHEMBL6492143 1.00 TSHR (0.49) TSHRMAPK1CYP1A2KDM4ELMNA
SCHEMBL10368755 0.81 TSHR (0.47) TSHRMAPK1KDM4EMEN1KMT2A
SCHEMBL29209246 0.81 CYP1A2 (0.42) TSHRMAPK1CYP1A2KDM4ELMNA
SCHEMBL22341974 0.79 CYP1A2 (0.41) TSHRMAPK1CYP1A2KDM4ELMNA
SCHEMBL2148853 0.76 HIF1A (0.56) LMNAHPGDALDH1A1
SCHEMBL6491400 0.76 CYP1A2 (0.50) TSHRMAPK1CYP1A2KDM4ELMNA
SCHEMBL6491397 0.76 CYP1A2 (0.50) TSHRMAPK1CYP1A2KDM4ELMNA
SCHEMBL13187502 0.76 CYP1A2 (0.46) TSHRMAPK1CYP1A2KDM4ELMNA
SCHEMBL16785511 0.76 CYP1A2 (0.46) TSHRMAPK1CYP1A2KDM4ELMNA
SCHEMBL12654058 0.74 TSHR (0.42) TSHRMAPK1CYP1A2KDM4ELMNA

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 TSHR 3008/4885MAPK1 3670/4885CYP1A2 1382/4885

“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.