SCHEMBL522140

SCHEMBL522140

NCCNC(=O)c1nc(Cl)c2ccccc2c1O

nearest known ligand 0.71

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 7/20 0.71
BBOX1 O75936 5/20 0.71
FTO Q9C0B1 4/20 0.71
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
MAOB P27338 2/20 0.44
CYP1A2 P05177 1/20 0.44
TSHR P16473 1/20 0.44
NFKB1 P19838 1/20 0.44

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
SCHEMBL522788 0.87 EGLN1 (0.72) EGLN1BBOX1FTOTHRATHRB
SCHEMBL522620 0.85 EGLN1 (0.69) EGLN1BBOX1FTOTHRATHRB
SCHEMBL523025 0.84 EGLN1 (0.67) EGLN1BBOX1FTOTHRATHRB
SCHEMBL29390250 0.83 EGLN1 (1.00) EGLN1BBOX1FTOTHRATHRB
SCHEMBL522744 0.83 EGLN1 (1.00) EGLN1BBOX1FTOTHRATHRB
SCHEMBL522143 0.83 EGLN1 (0.66) EGLN1BBOX1FTOTHRATHRB
SCHEMBL25934724 0.81 EGLN1 (0.80) EGLN1BBOX1FTOTHRATHRB
SCHEMBL10041250 0.81 EGLN1 (0.71) EGLN1BBOX1FTOTHRATHRB
SCHEMBL523725 0.80 EGLN1 (0.78) EGLN1BBOX1FTOTHRATHRB
SCHEMBL521735 0.79 EGLN1 (0.60) EGLN1BBOX1FTOTHRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120029011-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2012-02-02 US disclosed
US-8017625-B2 Nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. (US) 2011-09-13 US disclosed
EP-2357175-A1 isoquinoline derivatives AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN Fibrogen, Inc. (US) 2011-08-17 EP disclosed
EP-1644336-B1 NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND THEIR USE IN INCREASING ENDOGENEOUS ERYTHROPOIETIN FIBROGEN INC (US) 2011-01-19 EP disclosed
US-7863292-B2 modulators of hypoxia inducible factors and/or endogenous erythropoietin, such as 1-Chloro-4-hydroxy-7-isopropoxy-isoquinoline-3-carboxylic acid (2-hydroxy-1-hydroxymethyl-ethyl)-amide, used for the treatment of anemic disorders, neurological disorders and/or injuries FIBROGEN, INC. (US) 2011-01-04 US disclosed
US-20070155784-A1 Novel nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. 2007-07-05 US disclosed
US-20070155784-A1 Novel nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. 2007-07-05 US disclosed
US-20070155784-A1 Novel nitrogen-containing heteroaryl compounds and methods of use thereof FIBROGEN, INC. 2007-07-05 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 (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-20070155784-A1 Novel nitrogen-containing heteroaryl compounds and methods of use thereof HIF1AN, EGLN3, EGLN2 EGLN1 7/4885BBOX1 160/4885FTO 2745/4885
US-20120029011-A1 NOVEL NITROGEN-CONTAINING HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, EGLN3, EGLN2 EGLN1 7/4885BBOX1 160/4885FTO 2745/4885

“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.