SCHEMBL129485

SCHEMBL129485

[CH2]Cc1cccc(C#N)n1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOS2 Q07890 1/20 0.39
CTSK P43235 1/20 0.38
CTSS P25774 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.35
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
ALOX5AP P20292 2/20 0.32
FEN1 P39748 2/20 0.32
AHR P35869 1/20 0.32
SRC P12931 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
SCHEMBL2954219 0.79 HSD11B1 (0.41) SOS2CTSKCTSSIRAK4
SCHEMBL29413281 0.79 CCR1 (0.40) SOS2CTSKCTSSIRAK4PRMT5
SCHEMBL29561378 0.79 SOS2 (0.39) SOS2CTSKCTSSIRAK4PRMT5
SCHEMBL378968 0.79 CCR1 (0.40) SOS2CTSKCTSSIRAK4PRMT5
SCHEMBL14732983 0.79 KCNH2 (0.44) SOS2CTSKCTSSIRAK4
SCHEMBL3760158 0.79 IRAK4 (0.49) SOS2CTSKCTSSIRAK4PRMT5
SCHEMBL1758823 0.79 SOS2 (0.43) SOS2CTSKCTSSPRMT5WDR77
SCHEMBL9297038 0.79 SOS2 (0.39) SOS2CTSKCTSSIRAK4PRMT5
SCHEMBL22031516 0.79 PGK1 (0.32)
SCHEMBL17771959 0.79 SOS2 (0.39) SOS2CTSKCTSSIRAK4PRMT5

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 SOS2 3251/4885CTSK 2658/4885CTSS 2240/4885

“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.