SCHEMBL131630

SCHEMBL131630

COCOc1cccc(I)c1OCC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.39
PTPN1 P18031 1/20 0.38
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
HTR2C P28335 4/20 0.33
HTR2A P28223 2/20 0.33
HTR7 P34969 2/20 0.33
HTR4 Q13639 2/20 0.33
HTR2B P41595 1/20 0.33
HTR3A P46098 1/20 0.33
HTR5A P47898 1/20 0.33
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
MCHR1 Q99705 3/20 0.33
HTR1A P08908 1/20 0.32
BRD4 O60885 1/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 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
SCHEMBL129155 0.82 RIPK1 (0.39) RIPK1PTPN1HCRTR1HCRTR2HTR2C
SCHEMBL3711484 0.76 SMN1; SMN2 (0.50) PTPN1HTR1A
SCHEMBL2587027 0.74 SMN1; SMN2 (0.57) RIPK1HCRTR1HCRTR2PDE4APDE4B
SCHEMBL126718 0.73 PARP15 (0.36) RIPK1HTR2CHTR2AHTR7HTR4
SCHEMBL3401321 0.73 THRA (0.36) RIPK1HTR2CHTR2AHTR7HTR4
SCHEMBL29403193 0.71 APP (0.39) PTPN1TDP1
SCHEMBL2292458 0.71 APP (0.39) PTPN1TDP1
SCHEMBL2220154 0.71 PTPN1 (0.51) PTPN1DRD2DRD1
SCHEMBL1606856 0.69 PTPN1 (0.42) PTPN1TDP1
SCHEMBL16011771 0.68 SMN1; SMN2 (0.44) RIPK1HCRTR1HCRTR2HTR2CHTR2A

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 11 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
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
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
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
EP-1521125-B1 Electrophotographic photoconductor, electrophotographic method, electrophotographic apparatus, process cartridge for electrophotographic apparatus and azo compound RICOH CO LTD (JP) 2012-03-07 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US 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
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 RIPK1 3536/4885PTPN1 2663/4885HCRTR1 282/4885

“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.