SCHEMBL127774

SCHEMBL127774

[CH2]Cc1ccnc(C(C)(C)O)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.41
LOX P28300 1/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
ALDH1A1 P00352 1/20 0.35
NR3C2 P08235 1/20 0.34
LMNA P02545 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HTT P42858 1/20 0.33
TGFBR1 P36897 7/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
RECQL P46063 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
L3MBTL1 Q9Y468 1/20 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
SCHEMBL2323334 0.83 RECQL (0.50) LOXL2LOXHCRTR1HCRTR2ALDH1A1
SCHEMBL14872335 0.83 NOS3 (0.50) LOXL2LOXHCRTR1HCRTR2ALDH1A1
SCHEMBL29504608 0.83 RECQL (0.50) LOXL2LOXHCRTR1HCRTR2ALDH1A1
SCHEMBL15504976 0.81 LOXL2 (0.41) LOXL2LOXHCRTR1HCRTR2ALDH1A1
SCHEMBL31147968 0.81 LOXL2 (0.62) LOXL2LOXHCRTR1HCRTR2NOS3
SCHEMBL12776108 0.81 LOXL2 (0.41) LOXL2LOXHCRTR1HCRTR2ALDH1A1
SCHEMBL12844172 0.80 HCRTR1 (0.46) LOXL2LOXHCRTR1HCRTR2ALDH1A1
SCHEMBL128412 0.80 LMNA (0.39) LOXL2LOXHCRTR1HCRTR2ALDH1A1
SCHEMBL130174 0.79 LOXL2 (0.46) LOXL2LOXNR3C2RECQL
SCHEMBL131880 0.77 LOXL2 (0.67) LOXL2LOX

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 5 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
CN-101374844-A Pyrrolopyridazinone compound UBE INDUSTRIES (JP) 2009-02-25 CN 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 LOXL2 957/4885LOX 214/4885HCRTR1 282/4885

“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.