SCHEMBL129019

SCHEMBL129019

[CH2]c1cccc(C(C)(C)O)n1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 13/20 0.33
HCRTR2 O43614 13/20 0.33
SYK P43405 1/20 0.32
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.30
TSHR P16473 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
SCHEMBL17489106 0.84 PGK1 (0.41) HCRTR1HCRTR2SYKPGK1PGK2
SCHEMBL13094368 0.77 PGK1 (0.38) HCRTR1HCRTR2SYKPGK1PGK2
SCHEMBL126953 0.76 TSHR (0.33) PGK1PGK2SMN1; SMN2CYP3A4TSHR
SCHEMBL129020 0.76 CCR1 (0.46) SMN1; SMN2CYP3A4TSHR
SCHEMBL128413 0.75 PGK1 (0.37) PGK1PGK2
SCHEMBL15091255 0.74 NOS2 (0.46) HCRTR1HCRTR2SYKPGK1PGK2
SCHEMBL1111306 0.74 ADRB1 (0.46) SYKPGK1PGK2
SCHEMBL15832228 0.74 HTR3E (0.35) HCRTR1HCRTR2SYKPGK1PGK2
SCHEMBL906585 0.74 CTH (0.35) HCRTR1HCRTR2SYKPGK1PGK2
SCHEMBL30464720 0.74 NOS2 (0.46) HCRTR1HCRTR2SYKPGK1PGK2

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 HCRTR1 282/4885HCRTR2 237/4885SYK 2120/4885

“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.