SCHEMBL130534

SCHEMBL130534

O=c1[nH]ncc2c1c(I)cn2COCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TK1 P04183 1/20 0.37
UPP1 Q16831 1/20 0.36
EGFR P00533 1/20 0.34
ERBB2 P04626 1/20 0.34
IGF1R P08069 1/20 0.34
SRC P12931 1/20 0.34
FLT4 P35916 1/20 0.34
KDR P35968 1/20 0.34
FLT3 P36888 1/20 0.34
EPHB4 P54760 1/20 0.34
CSNK2A1 P68400 1/20 0.34
TEK Q02763 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
SCHEMBL127842 0.83 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4ECYP1A2CYP2C9
SCHEMBL132426 0.82 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4ECYP1A2CYP2C9
SCHEMBL128833 0.82 ALDH1A1 (0.39) ALDH1A1L3MBTL1KDM4ECYP1A2CYP2C9
SCHEMBL127738 0.79 UPP1 (0.43) ALDH1A1L3MBTL1KDM4ECYP1A2CYP2C9
SCHEMBL130003 0.78 UPP1 (0.39) ALDH1A1CYP2C9CYP2C19UPP1PDE3B
SCHEMBL127206 0.77 EGFR (0.34) EGFRIGF1RSRCFLT4KDR
SCHEMBL128976 0.77 HSD17B10 (0.42) ALDH1A1L3MBTL1KDM4ECYP1A2CYP2C9
SCHEMBL129084 0.71 DGAT1 (0.38) ALDH1A1KDM4EHSD17B10TK1UPP1
SCHEMBL126126 0.69 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4ECYP1A2CYP2C9
SCHEMBL15206814 0.68 ALDH1A1 (0.42) ALDH1A1L3MBTL1CYP1A2CYP2C19TK1

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 ALDH1A1 580/4885L3MBTL1 2482/4885KDM4E 1902/4885

“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.