SCHEMBL7789895

SCHEMBL7789895

COc1cc(=O)n(C)nc1C(=O)N(C)OC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.39
LPAR5 Q9H1C0 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MAPT P10636 2/20 0.33
BRD9 Q9H8M2 1/20 0.32
POLB P06746 1/20 0.32
TSHR P16473 1/20 0.32
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31
TP53 P04637 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
SCHEMBL13557929 0.87 BRD4 (0.39) BRD4SMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL7792558 0.80 BRD4 (0.43) BRD4SMN1; SMN2MAPTBRD9POLB
SCHEMBL7789445 0.80 BRD4 (0.46) BRD4SMN1; SMN2ALDH1A1MAPTPOLB
SCHEMBL7784129 0.78 CYP1A2 (0.47) BRD4SMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL7784354 0.76 MAPT (0.48) BRD4SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL10258442 0.75 SMN1; SMN2 (0.46) LPAR5SMN1; SMN2KDM4EALDH1A1GAA
SCHEMBL15828377 0.73 PDE10A (0.37) LPAR5SMN1; SMN2KDM4EALDH1A1GLA
SCHEMBL518651 0.72 GAA (0.50) SMN1; SMN2GAAMAPTPOLBTSHR
SCHEMBL17677267 0.72 LPAR5 (0.38) LPAR5SMN1; SMN2GAAHPGDCLK1
SCHEMBL31728764 0.71 ALDH1A1 (0.43) SMN1; SMN2KDM4EALDH1A1HPGDMAPT

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-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-8778944-B2 Pyridazinone compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-15 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-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 (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-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B BRD4 544/4885LPAR5 847/4885SMN1; SMN2 2942/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B BRD4 529/4885LPAR5 843/4885SMN1; SMN2 3025/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B BRD4 257/4885LPAR5 1195/4885SMN1; SMN2 3388/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B BRD4 257/4885LPAR5 1195/4885SMN1; SMN2 3388/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B BRD4 261/4885LPAR5 1169/4885SMN1; SMN2 3277/4885

“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.