SCHEMBL5464635

SCHEMBL5464635

O=C(O)c1ccnc(-n2c(=O)[nH]c3ccccc3c2=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPEPPS P55786 2/20 0.48
KDM4C Q9H3R0 8/20 0.47
KDM5A P29375 6/20 0.47
KDM2B Q8NHM5 4/20 0.47
KDM5B Q9UGL1 4/20 0.47
AURKA O14965 2/20 0.47
KDM4E B2RXH2 4/20 0.46
GAA P10253 2/20 0.46
TP53 P04637 1/20 0.45
NPC1 O15118 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CA12 O43570 1/20 0.44
RNASEH1 O60930 1/20 0.44
ERCC1 P07992 1/20 0.44
ERCC5 P28715 1/20 0.44
FEN1 P39748 1/20 0.44
CA9 Q16790 1/20 0.44
ERCC4 Q92889 1/20 0.44
HTT P42858 1/20 0.44
KDM4A O75164 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
SCHEMBL5476046 0.84 GNRHR (0.46) NPEPPSKDM4EGAATP53NPC1
SCHEMBL5467370 0.82 ALDH1A1 (0.51) NPEPPSKDM4EGAANPC1SMN1; SMN2
SCHEMBL16857004 0.81 KDM4E (0.63) NPEPPSAURKAKDM4EGAATP53
SCHEMBL5474270 0.80 CRBN (0.49) KDM4CKDM5AKDM5BSMN1; SMN2ALDH1A1
SCHEMBL6975916 0.78 NPEPPS (0.54) NPEPPSKDM4EGAATP53SMN1; SMN2
SCHEMBL5461862 0.78 GAA (0.67) NPEPPSAURKAKDM4EGAATP53
SCHEMBL5474006 0.75 KDM4E (0.52) NPEPPSAURKAKDM4EGAATP53
SCHEMBL5470611 0.75 KDM4E (0.60) NPEPPSAURKAKDM4EGAATP53
SCHEMBL5469140 0.74 NPEPPS (0.50) NPEPPSAURKAKDM4EGAATP53
SCHEMBL5472974 0.73 NPEPPS (0.49) NPEPPSAURKAKDM4EGAATP53

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 4 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 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 NPEPPS 2487/4885KDM4C 3789/4885KDM5A 2613/4885

“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.