SCHEMBL129240

SCHEMBL129240

[CH2]Cc1cccc(C(F)(F)F)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.43
MBOAT4 Q96T53 1/20 0.40
NOTUM Q6P988 1/20 0.39
ADRB1 P08588 1/20 0.38
IDH1 O75874 7/20 0.38
IDH2 P48735 2/20 0.38
MAOB P27338 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR2B P41595 1/20 0.36
NR3C1 P04150 1/20 0.36
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
TAS2R14 Q9NYV8 1/20 0.34

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
SCHEMBL7035568 0.84 P2RX7 (0.41) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL129423 0.81 PGK1 (0.34) P2RX7PGK1PGK2
SCHEMBL317402 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL29674423 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL30156698 0.79 P2RX7 (0.47) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL24442229 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL1020165 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL317403 0.79 P2RX7 (0.47) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL7049376 0.79 P2RX7 (0.47) P2RX7MBOAT4NOTUMADRB1IDH1
SCHEMBL10228848 0.79 P2RX7 (0.43) P2RX7MBOAT4NOTUMADRB1IDH1

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 P2RX7 1715/4885MBOAT4 2403/4885NOTUM 2645/4885

“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.