SCHEMBL15547488

SCHEMBL15547488

COC(=O)c1nc(C)c2ccc(Oc3ccc(OC)cc3)cc2c1O

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 11/20 0.70
THRA P10827 7/20 0.53
THRB P10828 7/20 0.53
BBOX1 O75936 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
ASPH Q12797 1/20 0.53
KDM8 Q8N371 1/20 0.53
FTO Q9C0B1 1/20 0.53
EGLN2 Q96KS0 6/20 0.51
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KDM4E B2RXH2 1/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL15548045 0.95 EGLN1 (0.70) EGLN1THRATHRBBBOX1SLC6A2
SCHEMBL16841134 0.92 EGLN1 (0.60) EGLN1THRATHRBBBOX1SLC6A2
SCHEMBL15549348 0.91 EGLN1 (0.70) EGLN1THRATHRBBBOX1SLC6A2
SCHEMBL16820450 0.88 EGLN1 (0.65) EGLN1THRATHRBBBOX1SLC6A2
SCHEMBL16841120 0.87 EGLN1 (0.60) EGLN1THRATHRBBBOX1SLC6A2
SCHEMBL14672080 0.86 EGLN1 (0.70) EGLN1THRATHRBBBOX1SLC6A2
SCHEMBL31267308 0.86 EGLN1 (0.70) EGLN1THRATHRBBBOX1SLC6A2
SCHEMBL522972 0.85 EGLN1 (0.61) EGLN1THRATHRBBBOX1SLC6A2
SCHEMBL16820470 0.84 EGLN1 (0.70) EGLN1THRATHRBBBOX1SLC6A2
SCHEMBL522900 0.83 EGLN1 (1.00) EGLN1THRATHRBBBOX1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3219706-A1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS Fibrogen, Inc. (US) 2017-09-20 EP disclosed
EP-3219706-A1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS Fibrogen, Inc. (US) 2017-09-20 EP disclosed
US-9708269-B2 Process for making isoquinoline compounds FIBROGEN, INC. (US) 2017-07-18 US disclosed
US-9708269-B2 Process for making isoquinoline compounds FIBROGEN, INC. (US) 2017-07-18 US disclosed
EP-2872487-B1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS FIBROGEN INC (US) 2017-04-26 EP disclosed
EP-2872487-B1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS FIBROGEN INC (US) 2017-04-26 EP disclosed
US-20160194285-A1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS FIBROGEN, INC. 2016-07-07 US disclosed
US-20160194285-A1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS FIBROGEN, INC. 2016-07-07 US disclosed
US-9340511-B2 Process for making isoquinoline compounds FIBROGEN, INC. (US) 2016-05-17 US disclosed
US-9340511-B2 Process for making isoquinoline compounds FIBROGEN, INC. (US) 2016-05-17 US disclosed
US-20150175550-A1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS FIBROGEN, INC. 2015-06-25 US disclosed
US-20150175550-A1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS FIBROGEN, INC. 2015-06-25 US disclosed
EP-2872487-A1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS Fibrogen, Inc. (US) 2015-05-20 EP disclosed
WO-2014014834-A1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS FIBROGEN, INC. (US) 2014-01-23 WO 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 (2 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-20150175550-A1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS HIF1AN, HIF1A, EGLN3 EGLN1 5/4885THRA 3768/4885THRB 3625/4885
US-20160194285-A1 PROCESS FOR MAKING ISOQUINOLINE COMPOUNDS HIF1AN, HIF1A, EGLN3 EGLN1 5/4885THRA 3768/4885THRB 3625/4885

“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.