SCHEMBL5466846

SCHEMBL5466846

CN(C(=O)c1ccc(Cl)c(-n2c(=O)[nH]c3ccccc3c2=O)c1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 3/20 0.71
KDM4E B2RXH2 2/20 0.51
HTT P42858 2/20 0.51
TP53 P04637 2/20 0.49
GAA P10253 2/20 0.45
NPC1 O15118 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.43
PKM P14618 1/20 0.43
HSD17B10 Q99714 1/20 0.43
BRD4 O60885 1/20 0.42
P2RX7 Q99572 1/20 0.42
MEN1 O00255 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
NPEPPS P55786 2/20 0.41
HSP90AA1 P07900 2/20 0.41
ALOX12 P18054 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL5475014 0.92 GNRHR (0.61) GNRHRKDM4EHTTTP53GAA
SCHEMBL5472777 0.87 GNRHR (0.55) GNRHRKDM4EHTTTP53GAA
SCHEMBL5467019 0.87 GNRHR (0.55) GNRHRKDM4EHTTTP53GAA
SCHEMBL5468929 0.86 GNRHR (0.67) GNRHRKDM4EHTTTP53NPC1
SCHEMBL5461029 0.85 GNRHR (0.54) GNRHRKDM4EHTTTP53GAA
SCHEMBL5470611 0.84 KDM4E (0.60) GNRHRKDM4EHTTTP53GAA
SCHEMBL5466655 0.84 KDM4E (0.52) GNRHRKDM4EHTTTP53GAA
SCHEMBL5467505 0.84 GNRHR (0.52) GNRHRKDM4EHTTTP53GAA
SCHEMBL13577391 0.83 GNRHR (1.00) GNRHRSMN1; SMN2PTGS2BRD4P2RX7
Trifluoroacetic Acid SCHEMBL5467389 0.82 GNRHR (0.51) GNRHRKDM4EHTTTP53GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US claimed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP claimed
WO-2007068728-A2 N-SUBSTITUTED PYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS PFIZER ITALIA SRL (IT) 2007-06-21 WO disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
US-20070010537-A1 Fused pyramidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-11 US disclosed
EP-1657238-A1 FUSED PYRIMIDINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2006-05-17 EP 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-20070010537-A1 Fused pyramidine derivative and use thereof NR5A1, GNRHR, RXFP3 GNRHR 2/4885KDM4E 4108/4885HTT 2381/4885

“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.