SCHEMBL130003

SCHEMBL130003

O=c1[nH]ncc2c1c(Cc1cccc(F)c1)cn2COCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
UPP1 Q16831 1/20 0.39
MKNK1 Q9BUB5 1/20 0.37
MKNK2 Q9HBH9 1/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
ALDH1A1 P00352 2/20 0.35
ALDH1A2 O94788 1/20 0.35
ALDH1A3 P47895 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL127738 0.90 UPP1 (0.43) UPP1ALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL130534 0.78 ALDH1A1 (0.39) UPP1MKNK1MKNK2PDE3BPDE3A
SCHEMBL127842 0.75 ALDH1A1 (0.40) UPP1PDE3BPDE3AALDH1A1CYP2C9
SCHEMBL132426 0.74 ALDH1A1 (0.39) UPP1PDE3BPDE3AALDH1A1CYP2C9
SCHEMBL128833 0.74 ALDH1A1 (0.39) UPP1ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL128976 0.69 HSD17B10 (0.42) PDE3BPDE3AALDH1A1CYP2C9CYP2C19
SCHEMBL127801 0.68 UPP1 (0.45) UPP1ALDH1A1
SCHEMBL6719842 0.65 ALDH1A1 (0.52) UPP1ALDH1A1CYP2C9CYP2C19KMT2A
SCHEMBL126126 0.65 ALDH1A1 (0.47) ALDH1A1CYP2C9CYP2C19MEN1KMT2A
SCHEMBL128689 0.64 UPP1 (0.41) UPP1ALDH1A1

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 UPP1 4479/4885MKNK1 4026/4885MKNK2 3646/4885

“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.