SCHEMBL133858

SCHEMBL133858

[CH2]c1ccc(C(C)(C)O)nc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 1/20 0.34
ALOX5AP P20292 2/20 0.31
PDE10A Q9Y233 1/20 0.31
CYP2C19 P33261 1/20 0.31
SYK P43405 5/20 0.31
PDE4A P27815 1/20 0.30
KCNH2 Q12809 1/20 0.30
TRPV4 Q9HBA0 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 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
SCHEMBL15122279 0.82 TRPV4 (0.32) TRPV4
SCHEMBL27856899 0.78 TRPV4 (0.39) TRPV4
SCHEMBL129205 0.76 DGAT1 (0.41) CYP2C19
SCHEMBL24922323 0.76 DEGS1 (0.38) TGFBR1ALOX5APCYP2C19SYKKMT2A
SCHEMBL133859 0.76 CCR1 (0.46) TGFBR1PDE10ASYKKMT2A
SCHEMBL131736 0.75 MLYCD (0.43) TRPV4
SCHEMBL8247564 0.74 FAAH (0.45) KCNH2KMT2A
SCHEMBL152558 0.74 PDE10A (0.43) PDE10AKMT2A
SCHEMBL2733258 0.74 LMNA (0.39) ALOX5APPDE10AKMT2A
SCHEMBL13653889 0.74 KDM4E (0.40) TGFBR1ALOX5APKMT2A

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 TGFBR1 2268/4885ALOX5AP 177/4885PDE10A 1813/4885

“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.