SCHEMBL128967

SCHEMBL128967

[CH2]Cc1cccnc1C(=O)OC

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
PARP1 P09874 1/20 0.49
MPO P05164 1/20 0.46
TDP1 Q9NUW8 1/20 0.44
KDM4E B2RXH2 4/20 0.44
MAPT P10636 3/20 0.44
CYP1A2 P05177 1/20 0.44
BRD4 O60885 1/20 0.42
HTT P42858 2/20 0.42
MAP2K1 Q02750 1/20 0.42
ALOX15 P16050 1/20 0.42
ALDH1A1 P00352 4/20 0.41
PKM P14618 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 1/20 0.39
RORC P51449 1/20 0.39

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
SCHEMBL535668 0.86 L3MBTL1 (0.58) L3MBTL1PARP1MPOTDP1KDM4E
SCHEMBL28677368 0.85 L3MBTL1 (0.57) L3MBTL1PARP1MPOTDP1KDM4E
SCHEMBL127810 0.84 BRD4 (0.57) L3MBTL1KDM4EMAPTCYP1A2BRD4
SCHEMBL12948310 0.83 L3MBTL1 (0.55) L3MBTL1PARP1MPOTDP1KDM4E
SCHEMBL28759101 0.83 L3MBTL1 (0.55) L3MBTL1PARP1MPOTDP1KDM4E
SCHEMBL25414723 0.83 L3MBTL1 (0.55) L3MBTL1PARP1MPOTDP1KDM4E
SCHEMBL1979301 0.83 L3MBTL1 (0.55) L3MBTL1PARP1MPOTDP1KDM4E
SCHEMBL18216628 0.83 L3MBTL1 (0.55) L3MBTL1PARP1MPOTDP1KDM4E
SCHEMBL30036150 0.83 L3MBTL1 (0.55) L3MBTL1PARP1MPOTDP1KDM4E
SCHEMBL7561544 0.83 L3MBTL1 (0.51) L3MBTL1PARP1MPOTDP1KDM4E

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 L3MBTL1 2482/4885PARP1 910/4885MPO 1208/4885

“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.