SCHEMBL10258442

SCHEMBL10258442

COc1cc(=O)n(-c2cccc(C)c2)nc1C(=O)N(C)OC

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
RAB9A P51151 1/20 0.46
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2C9 P11712 1/20 0.43
NPBWR1 P48145 1/20 0.43
MCHR1 Q99705 1/20 0.43
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CNR1 P21554 1/20 0.40
LPAR5 Q9H1C0 1/20 0.40
KMT2A Q03164 2/20 0.40
CYP3A4 P08684 1/20 0.39
ALDH1A1 P00352 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HSD11B1 P28845 1/20 0.38

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
SCHEMBL8369691 0.91 SMN1; SMN2 (0.47) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL518651 0.85 GAA (0.50) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL10258911 0.84 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL10258552 0.83 CYP1A2 (0.61) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL7784718 0.76 GAA (0.52) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL7789895 0.75 BRD4 (0.39) SMN1; SMN2GAALPAR5ALDH1A1KDM4E
SCHEMBL8369380 0.74 MEN1 (0.47) SMN1; SMN2NPBWR1MCHR1GAALPAR5
SCHEMBL5717653 0.72 ALDH1A1 (0.68) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL5717543 0.71 GAA (0.69) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL10258255 0.71 NPC1 (0.47) SMN1; SMN2RAB9AGAAKMT2AALDH1A1

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-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-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-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 (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-20120277431-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B SMN1; SMN2 3388/4885RAB9A 479/4885CYP1A2 116/4885
US-20120277430-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B SMN1; SMN2 3388/4885RAB9A 479/4885CYP1A2 116/4885
US-20150099757-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B SMN1; SMN2 2942/4885RAB9A 927/4885CYP1A2 116/4885
US-20120277204-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B SMN1; SMN2 3388/4885RAB9A 479/4885CYP1A2 116/4885
US-20120028951-A1 PYRIDAZINONE COMPOUNDS PDE3A, PDE5A, PDE3B SMN1; SMN2 3388/4885RAB9A 479/4885CYP1A2 116/4885

“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.