SCHEMBL7792558

SCHEMBL7792558

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 7/20 0.43
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
BRD9 Q9H8M2 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 2/20 0.34
USP2 O75604 1/20 0.34
MAPK1 P28482 1/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34

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
SCHEMBL7789445 0.86 BRD4 (0.46) BRD4MAPTSMN1; SMN2POLB
SCHEMBL7784129 0.85 CYP1A2 (0.47) BRD4MAPTL3MBTL1SMN1; SMN2CYP3A4
SCHEMBL7789895 0.80 BRD4 (0.39) BRD4MAPTBRD9SMN1; SMN2POLB
SCHEMBL13578901 0.77 ALDH1A1 (0.41) BRD4L3MBTL1SMN1; SMN2CYP3A4
SCHEMBL7784354 0.76 MAPT (0.48) BRD4LMNAHTTMAPTSMN1; SMN2
SCHEMBL18797088 0.74 BRD4 (0.47) BRD4BRD9SMN1; SMN2
SCHEMBL21904921 0.73 BRD4 (0.46) BRD4MAPTBRD9SMN1; SMN2
SCHEMBL18797087 0.73 BRD4 (0.46) BRD4LMNAHTTMAPTBRD9
SCHEMBL10258911 0.71 SMN1; SMN2 (0.50) L3MBTL1SMN1; SMN2CYP3A4
SCHEMBL7792914 0.69 ALDH1A1 (0.57) LMNAMAPTL3MBTL1SMN1; SMN2POLB

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 13 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-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-20120277204-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 (7 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 BRD4 257/4885LMNA 3764/4885HTT 3986/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B BRD4 257/4885LMNA 3764/4885HTT 3986/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B BRD4 544/4885LMNA 3004/4885HTT 3885/4885
US-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B BRD4 529/4885LMNA 3001/4885HTT 3917/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B BRD4 257/4885LMNA 3764/4885HTT 3986/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B BRD4 257/4885LMNA 3764/4885HTT 3986/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B BRD4 261/4885LMNA 3707/4885HTT 3954/4885

“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.