SCHEMBL129168

SCHEMBL129168

CCOC(=O)c1c(Cc2cccc(C#N)c2)cn(COCc2ccccc2)c1C=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.38
POLB P06746 1/20 0.37
ELANE P08246 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36
CYP1A2 P05177 1/20 0.36
GRM5 P41594 1/20 0.36
SETD7 Q8WTS6 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
IDH1 O75874 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL128226 0.86 SMN1; SMN2 (0.39) SMN1; SMN2RXFP1KMT2ALMNAMEN1
SCHEMBL129140 0.83 SMN1; SMN2 (0.39) SMN1; SMN2RXFP1POLBELANEKMT2A
SCHEMBL128523 0.83 SLC7A5 (0.41) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL127986 0.81 NPC1 (0.43) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL128773 0.78 SMN1; SMN2 (0.37) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL128231 0.78 SMN1; SMN2 (0.39) SMN1; SMN2POLBKMT2ALMNAMEN1
SCHEMBL127787 0.77 KMT2A (0.44) SMN1; SMN2KMT2ALMNAMEN1ALDH1A1
SCHEMBL6162430 0.73 SMN1; SMN2 (0.60) SMN1; SMN2POLBLMNAALDH1A1NPC1
SCHEMBL129380 0.72 UCHL1 (0.39) SMN1; SMN2POLBKMT2ALMNAALDH1A1
SCHEMBL6163207 0.71 TSHR (0.46) RXFP1POLBELANELMNAALDH1A1

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 4 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
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 SMN1; SMN2 4613/4885RXFP1 2737/4885POLB 3501/4885

“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.