SCHEMBL130499

SCHEMBL130499

Cc1cn(COCC[Si](C)(C)C)c2cn[nH]c(=O)c12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.35
EGFR P00533 1/20 0.34
IGF1R P08069 1/20 0.34
SRC P12931 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
EPHB4 P54760 1/20 0.34
TEK Q02763 1/20 0.34
ALDH1A1 P00352 2/20 0.33
TYMP P19971 1/20 0.32
DUT P33316 1/20 0.31
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL127206 0.86 EGFR (0.34) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL128471 0.86 EGFR (0.34) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL127476 0.78 DGAT1 (0.35) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL25344264 0.77 TYMP (0.48) ALDH1A1TYMPNPSR1MAPK1
SCHEMBL130669 0.76 DUT (0.36) DGAT1EGFRIGF1RSRCFLT4
SCHEMBL129327 0.76 NPC1 (0.33) DGAT1ALDH1A1NPC1KDM4ELMNA
SCHEMBL126656 0.74 NPC1 (0.34) DGAT1NPC1
SCHEMBL129352 0.72 NPC1 (0.33) NPC1KDM4ELMNA
SCHEMBL127844 0.72 LMNA (0.33) NPC1KDM4ELMNA
SCHEMBL129897 0.71 NPC1 (0.32) NPC1

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 DGAT1 2027/4885EGFR 2178/4885IGF1R 1744/4885

“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.