SCHEMBL4727441

SCHEMBL4727441

N#Cc1cc(N/C(=N/O)c2ccno2)ccc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.48
BLM P54132 1/20 0.44
WRN Q14191 1/20 0.44
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
AKT1 P31749 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
AR P10275 1/20 0.35
PGR P06401 1/20 0.34
BACE1 P56817 1/20 0.34
KCNH2 Q12809 1/20 0.33
EGFR P00533 1/20 0.32
NAMPT P43490 1/20 0.32
GAA P10253 1/20 0.32
GFER P55789 1/20 0.32

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
SCHEMBL4727448 1.00 GRM4 (0.48) GRM4BLMWRNKMT2AMEN1
SCHEMBL14259993 0.83 GRM4 (0.49) GRM4BLMWRNKMT2AMEN1
SCHEMBL4728352 0.80 MEN1 (0.49) KMT2AMEN1GAAGFER
SCHEMBL4728350 0.80 MEN1 (0.49) KMT2AMEN1GAAGFER
SCHEMBL4725734 0.80 ALDH1A1 (0.48) GRM4BLMWRNKMT2AMEN1
SCHEMBL4725732 0.80 ALDH1A1 (0.48) GRM4BLMWRNKMT2AMEN1
SCHEMBL4727828 0.80 ALDH1A1 (0.47) GRM4BLMKMT2AMEN1GAA
SCHEMBL4727832 0.80 ALDH1A1 (0.47) GRM4BLMKMT2AMEN1GAA
SCHEMBL30050843 0.78 GRM4 (0.46) GRM4BLMWRNAKT1ABCG2
SCHEMBL4727452 0.77 IDO1 (0.48)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 US claimed
WO-2008036652-A2 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-03-27 WO claimed
US-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE INCYTE CORPORATION (US) 2008-06-19 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-20080146624-A1 AMIDINES AS MODULATORS OF INDOLEAMINE 2,3-DIOXYGENASE IDO1, IDO2, INMT GRM4 489/4885BLM 3769/4885WRN 2625/4885

“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.