SCHEMBL6491397

SCHEMBL6491397

OC[C@@H](O)COc1ccccn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.50
KDM4E B2RXH2 2/20 0.50
AGTR1 P30556 1/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
CYP2C19 P33261 2/20 0.47
TSHR P16473 2/20 0.44
MAPK1 P28482 1/20 0.44
KCNA5 P22460 1/20 0.42
KCNJ5 P48544 1/20 0.42
KCNJ3 P48549 1/20 0.42
SCN5A Q14524 1/20 0.42
KCND3 Q9UK17 1/20 0.42
NPC1 O15118 3/20 0.40
RAB9A P51151 2/20 0.40
FGFR1 P11362 1/20 0.40
HPGD P15428 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP2D6 P10635 1/20 0.39

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
SCHEMBL6491400 1.00 CYP1A2 (0.50) CYP1A2KDM4EAGTR1LMNAMEN1
SCHEMBL11477551 0.84 ALOX15 (0.49) MEN1KMT2ACYP2C19TSHRNPC1
SCHEMBL19597584 0.82 NPC1 (0.42) CYP1A2KDM4ELMNAMEN1KMT2A
SCHEMBL29359016 0.79 LMNA (0.55) CYP1A2KDM4ELMNAMEN1KMT2A
SCHEMBL27926709 0.79 LMNA (0.55) CYP1A2KDM4ELMNAMEN1KMT2A
SCHEMBL10532918 0.79 NPC1 (0.40) CYP1A2KDM4ELMNAMEN1KMT2A
SCHEMBL25761452 0.78 GRK3 (0.40) CYP1A2KDM4EAGTR1LMNAMEN1
SCHEMBL8787698 0.76 CYP2D6 (0.50) CYP1A2KDM4ELMNATSHRNPC1
SCHEMBL6492136 0.76 TSHR (0.49) CYP1A2KDM4EAGTR1LMNAMEN1
SCHEMBL6492143 0.76 TSHR (0.49) CYP1A2KDM4EAGTR1LMNAMEN1

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 CYP1A2 1382/4885KDM4E 40/4885AGTR1 1392/4885

“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.