SCHEMBL10266992

SCHEMBL10266992

CC(=O)c1nn(-c2cccc(Br)c2F)cc(C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.34
RIPK1 Q13546 5/20 0.34
MET P08581 1/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL10258600 0.90 KMT2A (0.36) MEN1KMT2ASMN1; SMN2RIPK1MET
SCHEMBL10258844 0.87 KDM4E (0.39) MEN1KMT2ASMN1; SMN2METALDH1A1
SCHEMBL519263 0.84 PDE10A (0.39) MEN1KMT2ASMN1; SMN2HTT
SCHEMBL10259058 0.83 MET (0.33) SMN1; SMN2MET
SCHEMBL10266950 0.82 ADORA3 (0.45) MEN1KMT2ASMN1; SMN2RIPK1MET
SCHEMBL10258638 0.78 BRD4 (0.41)
SCHEMBL16625711 0.74 L3MBTL1 (0.41) MEN1KMT2AHTTRIPK1MET
SCHEMBL518860 0.74 KDM4E (0.39) MEN1KMT2ASMN1; SMN2ALDH1A1KDM4E
SCHEMBL10258535 0.73 MET (0.36) SMN1; SMN2METALDH1A1
SCHEMBL10258609 0.73 ALOX15 (0.39) MEN1KMT2ASMN1; SMN2HTTMET

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 US disclosed
US-9550756-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-01-24 US disclosed
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICAL (JP) 2015-04-09 US disclosed
US-8778944-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 US disclosed
US-8513251-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-08-20 US disclosed
US-8354411-B2 1-phenyl-3-pyrazolylpyridazin-4(1H)-one compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-15 US disclosed
US-20120277204-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120277431-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120277430-A1 PYRIDAZINONE COMPOUNDS TANIGUCHI TAKAHIKO (GB) 2012-11-01 US disclosed
US-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US 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 (6 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-20120277431-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MEN1 3445/4885KMT2A 1770/4885SMN1; SMN2 3388/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MEN1 3445/4885KMT2A 1770/4885SMN1; SMN2 3388/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MEN1 3211/4885KMT2A 1900/4885SMN1; SMN2 2942/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B MEN1 3239/4885KMT2A 1887/4885SMN1; SMN2 3025/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MEN1 3445/4885KMT2A 1770/4885SMN1; SMN2 3388/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B MEN1 3445/4885KMT2A 1770/4885SMN1; SMN2 3388/4885

“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.