SCHEMBL10258263

SCHEMBL10258263

CC(=O)c1nn(-c2ccc(I)cc2F)cc(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
MAP2K1 Q02750 13/20 0.37
MAP2K2 P36507 10/20 0.36
MET P08581 1/20 0.35
PARP1 P09874 1/20 0.32
TSHR P16473 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
SCHEMBL10267016 0.90 MET (0.35) L3MBTL1MAP2K1MAP2K2MET
SCHEMBL13557943 0.90 MAP2K1 (0.42) MAP2K1MAP2K2METPARP1
SCHEMBL14615218 0.88 MAP2K1 (0.45) MAP2K1MAP2K2METPARP1
SCHEMBL16625711 0.87 L3MBTL1 (0.41) L3MBTL1MAP2K1MAP2K2METPARP1
SCHEMBL10266967 0.87 MAP2K1 (0.43) MAP2K1MAP2K2MET
SCHEMBL10258426 0.87 CYP1A2 (0.40) L3MBTL1MAP2K1MAP2K2MET
SCHEMBL13559029 0.85 MAP2K1 (0.41) MAP2K1MAP2K2MET
SCHEMBL518962 0.84 PDE10A (0.39) L3MBTL1MAP2K1MAP2K2
SCHEMBL18780771 0.83 MAP2K1 (0.36) MAP2K1MAP2K2MET
SCHEMBL10266950 0.82 ADORA3 (0.45) MET

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 9 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-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-8435995-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-05-07 US disclosed
US-8354411-B2 1-phenyl-3-pyrazolylpyridazin-4(1H)-one compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-01-15 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-20120277204-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 (5 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 L3MBTL1 4512/4885MAP2K1 776/4885MAP2K2 491/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B L3MBTL1 4512/4885MAP2K1 776/4885MAP2K2 491/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B L3MBTL1 3598/4885MAP2K1 1270/4885MAP2K2 837/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B L3MBTL1 4512/4885MAP2K1 776/4885MAP2K2 491/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B L3MBTL1 4512/4885MAP2K1 776/4885MAP2K2 491/4885

“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.