SCHEMBL2748982

SCHEMBL2748982

O=c1ccn(-c2ccc(OC(F)(F)F)cc2)nc1-c1ccnn1-c1ccnc2ccc(F)cc12

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.65
TRPV4 Q9HBA0 2/20 0.37
KDM4E B2RXH2 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
ALDH1A1 P00352 2/20 0.33
CHRM4 P08173 1/20 0.33
GPR139 Q6DWJ6 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL2502159 0.91 PDE10A (0.68) PDE10AKDM4EALDH1A1CYP1A2CYP3A4
SCHEMBL2750982 0.90 PDE10A (0.64) PDE10AKDM4EMAPT
SCHEMBL2493463 0.89 PDE10A (0.81) PDE10AKDM4EMAPTALDH1A1CYP1A2
SCHEMBL2750558 0.88 PDE10A (0.63) PDE10AKDM4EL3MBTL1ALDH1A1CYP1A2
SCHEMBL2499202 0.88 PDE10A (0.61) PDE10AKDM4EL3MBTL1ALDH1A1CHRM4
SCHEMBL2750284 0.87 PDE10A (0.55) PDE10ATRPV4KDM4EL3MBTL1ALDH1A1
SCHEMBL2502808 0.86 PDE10A (0.60) PDE10AKDM4EL3MBTL1MAPTALDH1A1
SCHEMBL2502505 0.86 PDE10A (0.63) PDE10AKDM4EMAPTCYP3A4
SCHEMBL2545605 0.86 PDE10A (0.70) PDE10AALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2749464 0.85 PDE10A (0.71) PDE10AALDH1A1CYP1A2CYP3A4CYP2C9

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 11 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
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 3/4885TRPV4 2004/4885KDM4E 824/4885

“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.