SCHEMBL127801

SCHEMBL127801

O=c1c2c(Cc3ccccc3)cn(COCc3ccccc3)c2cnn1CO

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.45
EGLN1 Q9GZT9 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
IGF1R P08069 1/20 0.33
SRC P12931 1/20 0.33
FLT4 P35916 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
EPHB4 P54760 1/20 0.33
CSNK2A1 P68400 1/20 0.33
TEK Q02763 1/20 0.33
PTK2 Q05397 1/20 0.33
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 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
SCHEMBL170283 0.77 DGAT1 (0.39) UPP1EGLN1ALDH1A1EGFRIGF1R
SCHEMBL127738 0.72 UPP1 (0.43) UPP1ALDH1A1KDM4EHSD17B10LMNA
SCHEMBL129617 0.71 DGAT1 (0.40) EGLN1ALDH1A1KDM4EHTTHSD17B10
SCHEMBL127546 0.71 DGAT1 (0.37) UPP1EGLN1ALDH1A1HTTHSD17B10
SCHEMBL129084 0.70 DGAT1 (0.38) UPP1EGLN1ALDH1A1KDM4EHTT
SCHEMBL129829 0.69 DGAT1 (0.37) UPP1ALDH1A1KDM4EHTTHSD17B10
SCHEMBL128762 0.69 DGAT1 (0.37) EGLN1ALDH1A1HTTHSD17B10EGFR
SCHEMBL27077770 0.65 MAPT (0.39) ALDH1A1KDM4EHSD17B10NPC1LMNA
SCHEMBL128655 0.64 DGAT1 (0.33) UPP1EGFRIGF1RSRCFLT4
SCHEMBL130534 0.64 ALDH1A1 (0.39) UPP1EGLN1ALDH1A1KDM4EHSD17B10

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-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 UPP1 4479/4885EGLN1 95/4885ALDH1A1 580/4885

“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.