SCHEMBL7784129

SCHEMBL7784129

COC(=O)c1nn(C)c(=O)cc1OC

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 4/20 0.42
CYP3A4 P08684 1/20 0.42
BRD4 O60885 7/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
RECQL P46063 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
GLA P06280 1/20 0.39
MEN1 O00255 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL7792558 0.85 BRD4 (0.43) SMN1; SMN2CYP3A4BRD4MAPTL3MBTL1
SCHEMBL7789445 0.85 BRD4 (0.46) CYP1A2CYP2C19CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL393839 0.81 ALDH1A1 (0.43) CYP1A2CYP2C19CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL7792914 0.81 ALDH1A1 (0.57) CYP1A2CYP2C19CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL7789895 0.78 BRD4 (0.39) SMN1; SMN2ALDH1A1BRD4GAAMAPT
SCHEMBL7784354 0.75 MAPT (0.48) CYP1A2CYP2C19SMN1; SMN2ALDH1A1KMT2A
SCHEMBL18797088 0.73 BRD4 (0.47) SMN1; SMN2BRD4
SCHEMBL10258552 0.72 CYP1A2 (0.61) CYP1A2CYP2C19CYP2C9SMN1; SMN2ALDH1A1
SCHEMBL18797087 0.72 BRD4 (0.46) SMN1; SMN2ALDH1A1BRD4MAPTNPSR1
SCHEMBL21904921 0.72 BRD4 (0.46) SMN1; SMN2ALDH1A1BRD4GAAMAPT

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-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-8916566-B2 Pyridazinone compounds as phosphodiesterase inhibitors and methods of treating disorders TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-12-23 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-20120028951-A1 PYRIDAZINONE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-02-02 US disclosed
US-20100197651-A1 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-05 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 CYP1A2 116/4885CYP2C19 218/4885CYP2C9 630/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP2C19 218/4885CYP2C9 630/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP2C19 201/4885CYP2C9 659/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B CYP1A2 120/4885CYP2C19 199/4885CYP2C9 637/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B CYP1A2 116/4885CYP2C19 218/4885CYP2C9 630/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B CYP1A2 109/4885CYP2C19 195/4885CYP2C9 569/4885

“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.