SCHEMBL2499998

SCHEMBL2499998

O=c1ccn(-c2cccc(S(=O)(=O)N3CCCCC3)c2)nc1-c1ccnn1-c1cccc2cnccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.45
CNR1 P21554 1/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
ROCK2 O75116 2/20 0.39
CCR2 P41597 2/20 0.39
ROCK1 Q13464 2/20 0.39
PRKD3 O94806 2/20 0.39
PRKCG P05129 2/20 0.39
PRKCB P05771 2/20 0.39
CYP3A4 P08684 2/20 0.39
ADORA3 P0DMS8 2/20 0.39
PRKCA P17252 2/20 0.39
PRKACA P17612 2/20 0.39
PRKACG P22612 2/20 0.39
PRKACB P22694 2/20 0.39
PRKCH P24723 2/20 0.39
PRKCI P41743 2/20 0.39
PRKCE Q02156 2/20 0.39
PRKCQ Q04759 2/20 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
SCHEMBL2502853 0.99 PDE10A (0.45) PDE10ACNR1KMT2AMEN1ROCK2
SCHEMBL2478240 0.85 PDE10A (0.47) PDE10APRKD3PRKCGPRKCBCYP3A4
SCHEMBL2496050 0.85 PDE10A (0.56) PDE10AKMT2ACYP3A4SMN1; SMN2HTT
SCHEMBL2504022 0.84 PDE10A (0.58) PDE10AKMT2ACYP3A4SMN1; SMN2HTT
SCHEMBL2750931 0.84 PDE10A (0.56) PDE10AKMT2ACYP3A4SMN1; SMN2HTT
SCHEMBL2503796 0.83 PDE10A (0.59) PDE10AKMT2ACYP3A4SMN1; SMN2HTT
SCHEMBL2480052 0.82 PDE10A (0.45) PDE10ACYP3A4SMN1; SMN2HTTMAPK1
SCHEMBL7915145 0.82 PDE10A (0.52) PDE10AROCK2CCR2ROCK1CYP3A4
SCHEMBL14237642 0.82 PDE10A (0.48) PDE10AKMT2AMEN1SMN1; SMN2HTT
SCHEMBL2750134 0.81 PDE10A (0.53) PDE10AKMT2AMEN1SMN1; SMN2HTT

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP claimed
US-8178538-B2 Pyridazinones HOFFMANN-LA ROCHE INC. (US) 2012-05-15 US claimed
EP-2373641-A1 PYRIDAZINONE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2011-10-12 EP claimed
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US claimed
WO-2010063610-A1 PYRIDAZINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-06-10 WO claimed
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

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 3/4885CNR1 677/4885KMT2A 2667/4885

“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.