SCHEMBL2750293

SCHEMBL2750293

O=c1ccn(-c2ccc(Cl)cc2)nc1-c1ccnn1-c1cccc(Cl)c1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 6/20 0.72
KDM4E B2RXH2 2/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
NR3C2 P08235 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43
NOTUM Q6P988 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL2505485 0.94 PDE10A (0.70) PDE10AKDM4EPKMHTTPOLB
SCHEMBL2749209 0.94 PDE10A (0.77) PDE10AKDM4EPKMHTTPOLB
SCHEMBL3503982 0.92 PDE10A (0.68) PDE10AKDM4EPKMHTTPOLB
SCHEMBL519541 0.90 PDE10A (0.61) PDE10APKMHTTALDH1A1CYP1A2
SCHEMBL518893 0.90 PDE10A (0.61) PDE10APKMHTTALDH1A1CYP1A2
SCHEMBL518641 0.89 PDE10A (0.70) PDE10AKDM4EHTTPOLBALDH1A1
SCHEMBL2748907 0.89 PDE10A (0.65) PDE10AKDM4EHTTALDH1A1CYP1A2
SCHEMBL2498289 0.88 PDE10A (0.64) PDE10AKDM4EPKMHTTPOLB
SCHEMBL3506101 0.87 PDE10A (0.66) PDE10AKDM4EHTTPOLBALDH1A1
SCHEMBL7908353 0.87 PDE10A (0.68) PDE10AKDM4EPKMHTTPOLB

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 12 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
US-20100152193-A1 PYRIDAZINONES HOFFMANN-LA ROCHE, INC. 2010-06-17 US claimed
EP-2373641-B1 PYRIDAZINONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2012-12-19 EP disclosed
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
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 3/4885KDM4E 824/4885PKM 233/4885

“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.