SCHEMBL129267

SCHEMBL129267

[CH2]Cc1cccnc1C#N

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.53
MPO P05164 1/20 0.40
HSD11B1 P28845 3/20 0.39
PLCG1 P19174 1/20 0.37
LRRK2 Q5S007 1/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 1/20 0.32
KCNMA1 Q12791 2/20 0.32
ELANE P08246 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
CACNA1B Q00975 1/20 0.32
APBA1 Q02410 1/20 0.32
PAX8 Q06710 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL1007086 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1PLCG1LRRK2
SCHEMBL929481 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1PLCG1LRRK2
SCHEMBL1543531 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1PLCG1LRRK2
SCHEMBL1007759 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1PLCG1LRRK2
SCHEMBL30748563 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1PLCG1LRRK2
SCHEMBL25347053 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1PLCG1LRRK2
SCHEMBL6109965 0.80 CYP11B1 (0.53) CYP11B1MPOHSD11B1PLCG1ALDH1A1
SCHEMBL11611833 0.79 CYP11B1 (0.49) CYP11B1MPOHSD11B1PLCG1ALDH1A1
Hydrochloric Acid SCHEMBL3288938 0.78 CYP11B1 (0.51) CYP11B1MPOHSD11B1PLCG1LRRK2
Hydrochloric Acid SCHEMBL26104353 0.78 CYP11B1 (0.51) CYP11B1MPOHSD11B1PLCG1LRRK2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US claimed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP claimed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US claimed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 EP claimed
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 CYP11B1 69/4885MPO 1208/4885HSD11B1 184/4885

“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.