SCHEMBL130174

SCHEMBL130174

[CH2]Cc1ccnc(C(O)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.46
LOX P28300 1/20 0.45
KCNQ2 O43526 1/20 0.35
NR1H2 P55055 7/20 0.33
NR1H3 Q13133 7/20 0.33
RORC P51449 3/20 0.33
PPARG P37231 1/20 0.32
MLYCD O95822 2/20 0.31
NR3C2 P08235 1/20 0.31
SMARCA2 P51531 1/20 0.31
SMARCA4 P51532 1/20 0.31
RECQL P46063 1/20 0.31

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
SCHEMBL131880 0.82 LOXL2 (0.67) LOXL2LOXKCNQ2SMARCA2SMARCA4
SCHEMBL127774 0.79 LOXL2 (0.41) LOXL2LOXNR3C2RECQL
SCHEMBL129589 0.77 LOXL2 (0.34) LOXL2LOXNR1H2NR1H3MLYCD
SCHEMBL129590 0.73 SMN1; SMN2 (0.44) LOXL2NR1H2NR1H3MLYCD
SCHEMBL128412 0.70 LMNA (0.39) LOXL2LOXNR3C2
SCHEMBL128187 0.68 RORC (0.44) NR1H2NR1H3RORCMLYCD
SCHEMBL1515222 0.67
SCHEMBL29988849 0.67 LOXL2 (0.67) LOXL2LOXKCNQ2SMARCA2SMARCA4
SCHEMBL9057494 0.67 LOXL2 (0.67) LOXL2LOXKCNQ2SMARCA2SMARCA4
SCHEMBL130132 0.66 NR1H2 (0.52) NR1H2NR1H3MLYCD

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 LOXL2 957/4885LOX 214/4885KCNQ2 581/4885

“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.