SCHEMBL2506299

SCHEMBL2506299

CN(C)/C=C/C(=O)c1nn(-c2cccc(OC(F)(F)F)c2)ccc1=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 2/20 0.44
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
OPRM1 P35372 1/20 0.42
CACNA2D1 P54289 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 2/20 0.41
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.38
SCN9A Q15858 1/20 0.38
NOTUM Q6P988 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
SCHEMBL2506303 1.00 PDE10A (0.48) PDE10AKMT2AMEN1GAAMAPT
SCHEMBL518757 0.89 KMT2A (0.46) KMT2AMEN1GAAMAPTCYP1A2
SCHEMBL518756 0.89 KMT2A (0.46) KMT2AMEN1GAAMAPTCYP1A2
SCHEMBL2497188 0.89 KDM4E (0.47) KMT2AMEN1GAAMAPTCYP1A2
SCHEMBL2497194 0.89 KDM4E (0.47) KMT2AMEN1GAAMAPTCYP1A2
SCHEMBL519640 0.87 KMT2A (0.48) KMT2AMEN1GAAMAPTCYP1A2
SCHEMBL519639 0.87 KMT2A (0.48) KMT2AMEN1GAAMAPTCYP1A2
SCHEMBL519218 0.86 ALDH1A1 (0.55) KMT2AMEN1GAAMAPTCYP1A2
SCHEMBL519217 0.86 ALDH1A1 (0.55) KMT2AMEN1GAAMAPTCYP1A2
SCHEMBL519706 0.84 KMT2A (0.49) KMT2AMEN1GAAMAPTCYP1A2

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
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 EP disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO disclosed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO 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 (1 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-20100152193-A1 PYRIDAZINONES PDE5A, PDE3A, PDE10A PDE10A 3/4885KMT2A 2667/4885MEN1 1741/4885

“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.