SCHEMBL127481

SCHEMBL127481

C[Si](C)(C)CCOCn1ncc2c(c(Br)cn2COCC[Si](C)(C)C)c1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.37
NPC1 O15118 4/20 0.34
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
F2RL1 P55085 1/20 0.32
S1PR4 O95977 3/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 3/20 0.31
MAPT P10636 3/20 0.31
HPGD P15428 3/20 0.31
S1PR1 P21453 3/20 0.31
HTT P42858 3/20 0.31
RAB9A P51151 3/20 0.31
NPSR1 Q6W5P4 3/20 0.31

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
SCHEMBL129633 0.90 DGAT1 (0.39) DGAT1NPC1EGFRIGF1RSRC
SCHEMBL127476 0.86 DGAT1 (0.35) DGAT1NPC1EGFRIGF1RSRC
SCHEMBL135845 0.85 NPC1 (0.34) DGAT1NPC1EGFRIGF1RSRC
SCHEMBL130088 0.85 F2RL1 (0.36) DGAT1NPC1EGFRIGF1RSRC
SCHEMBL127498 0.85 EGFR (0.34) DGAT1NPC1EGFRIGF1RSRC
SCHEMBL27077831 0.85 NPBWR1 (0.46) DGAT1
SCHEMBL27077814 0.85 BRD4 (0.37) DGAT1NPC1S1PR4ALDH1A1LMNA
SCHEMBL128755 0.82 EGFR (0.33) DGAT1NPC1EGFRIGF1RSRC
SCHEMBL127834 0.82 EGFR (0.34) DGAT1NPC1EGFRIGF1RSRC
SCHEMBL129643 0.82 DGAT1 (0.33) DGAT1NPC1EGFRIGF1RSRC

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 2027/4885NPC1 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.