SCHEMBL8369691

SCHEMBL8369691

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

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
RAB9A P51151 1/20 0.47
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
NPBWR1 P48145 2/20 0.44
MCHR1 Q99705 2/20 0.44
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.42
CNR1 P21554 1/20 0.41
KMT2A Q03164 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.39
BRCA1 P38398 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL10258442 0.91 SMN1; SMN2 (0.46) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL10258911 0.86 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL10258552 0.85 CYP1A2 (0.61) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL7784718 0.84 GAA (0.52) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL8369693 0.78 KMT2A (0.47) SMN1; SMN2RAB9ANPBWR1MCHR1GAA
SCHEMBL518651 0.76 GAA (0.50) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL5717653 0.74 ALDH1A1 (0.68) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL5717543 0.73 GAA (0.69) SMN1; SMN2RAB9ACYP1A2CYP2C19CYP2C9
SCHEMBL30022821 0.72 GAA (0.56) SMN1; SMN2RAB9AGAAL3MBTL1KMT2A
SCHEMBL10258287 0.71 ALDH1A1 (0.55) NPBWR1MCHR1KMT2AALDH1A1KDM4E

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 3 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-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS TAKEDA PHARMACEUTICALS CO (JP) 2017-04-27 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 (2 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-20170114044-A1 PYRIDAZINONE COMPOUNDS AS PHOSPHODIESTERASE INHIBITORS AND METHODS OF TREATING DISORDERS PDE3A, PDE5A, PDE3B SMN1; SMN2 3025/4885RAB9A 904/4885CYP1A2 120/4885
US-20100197651-A1 Pyridazinone compounds PDE3A, PDE5A, PDE3B SMN1; SMN2 3277/4885RAB9A 495/4885CYP1A2 109/4885

“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.