SCHEMBL10258683

SCHEMBL10258683

CC(=O)c1nn(-c2ccc(-n3cccn3)cc2F)cc(C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 2/20 0.39
CAPN1 P07384 1/20 0.38
KAT6A Q92794 4/20 0.37
PDE10A Q9Y233 2/20 0.37
CRHR1 P34998 1/20 0.36
MET P08581 1/20 0.36
FGFR1 P11362 2/20 0.36
MGLL Q99685 1/20 0.36
TP53 P04637 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
F10 P00742 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CYP3A4 P08684 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
SCHEMBL10258926 0.90 CRHR1 (0.40) TNIKCAPN1KAT6ACRHR1MGLL
SCHEMBL519254 0.86 PDE10A (0.47) CAPN1KAT6APDE10ACRHR1FGFR1
SCHEMBL10258903 0.85 PDE10A (0.38) TNIKCAPN1KAT6APDE10ACRHR1
SCHEMBL16625711 0.81 L3MBTL1 (0.41) METL3MBTL1
SCHEMBL10258263 0.79 L3MBTL1 (0.39) METL3MBTL1
SCHEMBL10266950 0.79 ADORA3 (0.45) PDE10AMETMGLL
SCHEMBL17389338 0.78 PDE10A (0.49) KAT6APDE10AFGFR1
SCHEMBL15973835 0.77 PDE10A (0.47) KAT6APDE10AL3MBTL1F10CYP3A4
SCHEMBL14973927 0.77 L3MBTL1 (0.38) TNIKCAPN1KAT6APDE10AFGFR1
SCHEMBL519089 0.76 CRHR1 (0.41) CAPN1PDE10ACRHR1TP53HCRTR1

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 TNIK 2838/4885CAPN1 4097/4885KAT6A 1311/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B TNIK 2838/4885CAPN1 4097/4885KAT6A 1311/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B TNIK 2641/4885CAPN1 3922/4885KAT6A 1158/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B TNIK 2748/4885CAPN1 3963/4885KAT6A 1213/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B TNIK 2838/4885CAPN1 4097/4885KAT6A 1311/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B TNIK 2838/4885CAPN1 4097/4885KAT6A 1311/4885

“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.