SCHEMBL130669

SCHEMBL130669

C[Si](C)(C)CCOCn1ccc2c(=O)[nH]ncc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DUT P33316 1/20 0.36
NPC1 O15118 1/20 0.35
EGFR P00533 1/20 0.35
IGF1R P08069 1/20 0.35
SRC P12931 1/20 0.35
FLT4 P35916 1/20 0.35
KDR P35968 1/20 0.35
FLT3 P36888 1/20 0.35
EPHB4 P54760 1/20 0.35
TEK Q02763 1/20 0.35
DGAT1 O75907 1/20 0.34
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.32
HSD17B10 Q99714 2/20 0.32
PARP1 P09874 1/20 0.32
PRKCI P41743 1/20 0.32
PDE4B Q07343 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL128976 0.77 HSD17B10 (0.42) EGFRIGF1RSRCFLT4KDR
SCHEMBL129957 0.77 NPC1 (0.37) DUTNPC1EGFRIGF1RSRC
SCHEMBL130499 0.76 DGAT1 (0.35) DUTNPC1EGFRIGF1RSRC
SCHEMBL15102134 0.75 MAPT (0.35) DUTNPC1EGFRIGF1RSRC
SCHEMBL128279 0.75 NPC1 (0.38) NPC1EGFRIGF1RSRCFLT4
SCHEMBL128471 0.75 EGFR (0.34) DUTEGFRIGF1RSRCFLT4
SCHEMBL127206 0.75 EGFR (0.34) DUTEGFRIGF1RSRCFLT4
SCHEMBL22576055 0.74 DGAT1 (0.38) NPC1DGAT1MAPT
SCHEMBL30501966 0.74 DGAT1 (0.38) NPC1DGAT1MAPT
SCHEMBL21768429 0.74 DGAT1 (0.40) DUTNPC1EGFRIGF1RSRC

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 DUT 3246/4885NPC1 1907/4885EGFR 2178/4885

“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.