SCHEMBL131827

SCHEMBL131827

[CH2]Cc1ccnc(C#N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.39
PARP14 Q460N5 1/20 0.37
XDH P47989 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
KIT P10721 1/20 0.34
BRAF P15056 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
NPY5R Q15761 1/20 0.33
GRM5 P41594 1/20 0.33
CHEK1 O14757 1/20 0.33
GRM2 Q14416 1/20 0.32
GABRP O00591 1/20 0.32
GABRD O14764 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB1 P18505 1/20 0.32
GABRG2 P18507 1/20 0.32
GABRB3 P28472 1/20 0.32
GABRA5 P31644 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
SCHEMBL27677466 0.85 MYC (0.37) MYCPARP14XDHABCG2KIT
SCHEMBL451724 0.84 MYC (0.39) MYCPARP14XDHABCG2KIT
SCHEMBL1161577 0.80 MYC (0.39) MYCPARP14XDHABCG2KIT
SCHEMBL6466230 0.80 MYC (0.39) MYCPARP14XDHABCG2KIT
SCHEMBL29631080 0.80 MYC (0.39) MYCPARP14XDHABCG2KIT
SCHEMBL454924 0.80 RECQL (0.52) MYCPARP14XDHABCG2KIT
SCHEMBL2642690 0.80 LOXL2 (0.52) MYCXDHABCG2
SCHEMBL3302943 0.80 NOS3 (0.52) MYCPARP14XDHABCG2AAK1
SCHEMBL451725 0.80 MYC (0.39) MYCPARP14XDHABCG2KIT
SCHEMBL2642689 0.80 MYC (0.39) MYCPARP14XDHABCG2KIT

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 7 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
CN-1213040-C Serine protease inhibitors LILLY CO ELI (US) 2005-08-03 CN disclosed
CN-1438999-A Serine protease inhibitors LILLY CO ELI (US) 2003-08-27 CN 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 MYC 1026/4885PARP14 1404/4885XDH 1203/4885

“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.