SCHEMBL130002

SCHEMBL130002

[CH2]Cc1ccc(C(C)(C)O)nc1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.35
HDAC1 Q13547 1/20 0.34
PDE4A P27815 1/20 0.33
KCNH2 Q12809 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
SYK P43405 5/20 0.31
ALDH1A1 P00352 1/20 0.31
CCR9 P51686 2/20 0.31
TKT P29401 1/20 0.31
PIK3CA P42336 2/20 0.30
MTOR P42345 2/20 0.30
RPTOR Q8N122 1/20 0.30
MLST8 Q9BVC4 1/20 0.30
PTGS2 P35354 1/20 0.30
P2RX7 Q99572 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
SCHEMBL10272809 0.82 PDE10A (0.46) PDE10APDE4AKCNH2PARP1PARP2
SCHEMBL27975333 0.81 TRPV4 (0.35) KCNH2TKT
SCHEMBL12776127 0.81 ESR1 (0.45) PDE10AHDAC1PDE4AKCNH2PARP1
SCHEMBL131690 0.79 PPARD (0.36) KCNH2ALDH1A1CCR9
SCHEMBL129948 0.76 TRPV4 (0.52) KCNH2TKTPIK3CA
SCHEMBL31481176 0.75 CA2 (0.43) HDAC1CCR9
SCHEMBL133858 0.74 TGFBR1 (0.34) PDE10APDE4AKCNH2SYK
SCHEMBL27855769 0.73 KDM1A (0.35) KCNH2TKT
SCHEMBL127774 0.72 LOXL2 (0.41) ALDH1A1
SCHEMBL24922323 0.71 DEGS1 (0.38) SYKALDH1A1

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 PDE10A 1813/4885HDAC1 561/4885PDE4A 3035/4885

“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.