SCHEMBL10258357

SCHEMBL10258357

COC(=O)c1nn(-c2cc3c(cc2F)OC(F)(F)O3)cc(C)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.38
KDM4E B2RXH2 4/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
PKM P14618 2/20 0.34
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
MET P08581 2/20 0.33
CSNK1E P49674 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 2/20 0.31
SCN9A Q15858 1/20 0.31
HPGD P15428 1/20 0.31
STAT3 P40763 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
SCHEMBL10258851 0.94 KDM4E (0.37) P2RX7KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL519579 0.88 P2RX7 (0.41) P2RX7KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10266995 0.88 P2RX7 (0.33) P2RX7KDM4EALDH1A1KMT2AMET
SCHEMBL518823 0.82 P2RX7 (0.40) P2RX7KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10258852 0.81 P2RX7 (0.33) P2RX7KDM4EALDH1A1KMT2AMET
SCHEMBL10266981 0.81 ALOX15 (0.40) P2RX7KDM4EL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL10266994 0.79 P2RX7 (0.35) P2RX7
SCHEMBL10266997 0.79 P2RX7 (0.35) P2RX7
SCHEMBL16625710 0.78 ALDH1A1 (0.44) KDM4EL3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL518617 0.78 P2RX7 (0.39) P2RX7ALDH1A1NPC1KMT2ARAB9A

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-20120277430-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-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 (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 P2RX7 876/4885KDM4E 1514/4885L3MBTL1 4512/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B P2RX7 876/4885KDM4E 1514/4885L3MBTL1 4512/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B P2RX7 884/4885KDM4E 1707/4885L3MBTL1 3669/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B P2RX7 909/4885KDM4E 1652/4885L3MBTL1 3598/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B P2RX7 876/4885KDM4E 1514/4885L3MBTL1 4512/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B P2RX7 876/4885KDM4E 1514/4885L3MBTL1 4512/4885

“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.