SCHEMBL4705837

SCHEMBL4705837

CCn1nc(-c2ccc(SC)cc2)c(C(C)=O)c(Nc2cccc(F)c2)c1=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.56
MCHR1 Q99705 2/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.38
MAPK1 P28482 2/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 1/20 0.35
HTR1A P08908 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
RIPK1 Q13546 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CCND2 P30279 1/20 0.34
CCND3 P30281 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL4708365 0.90 PDE4B (0.45) PDE4BMCHR1SMN1; SMN2ALDH1A1ESR1
SCHEMBL4706107 0.89 PDE4B (0.70) PDE4BSMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL4706106 0.89 PDE4B (0.44) PDE4BMCHR1SMN1; SMN2ALDH1A1ESR1
SCHEMBL4708777 0.88 PDE4B (0.62) PDE4BSMN1; SMN2ALDH1A1HTR1AADRA1D
SCHEMBL1653670 0.88 PDE4B (0.59) PDE4BSMN1; SMN2
SCHEMBL4707226 0.86 PDE4B (0.67) PDE4BSMN1; SMN2ALDH1A1MAPK1MAPT
SCHEMBL4706656 0.85 PDE4B (0.55) PDE4BMCHR1SMN1; SMN2HTR1AADRA1D
SCHEMBL4707779 0.84 PDE4B (0.77) PDE4BSMN1; SMN2HTR1AADRA1DADRA1A
SCHEMBL4709794 0.84 PDE4B (0.57) PDE4BMCHR1SMN1; SMN2RAB9A
SCHEMBL5722825 0.83 MAPK1 (0.40) PDE4BMCHR1SMN1; SMN2ALDH1A1ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 US claimed
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 US claimed
US-7459453-B2 Pyridazin-3(2H)-one derivatives as PDE4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2008-12-02 US disclosed
US-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS DAL PIAZ VITTORIO 2008-10-30 US disclosed
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors LABORATORIOS ALMIRALL, S.A. (ES) 2006-03-09 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-20080269235-A1 PYRIDAZIN-3 (2H) -ONE DERIVATIVES AS PDE4 INHIBITORS PDE4A, PDE3A, PDE4B PDE4B 3/4885MCHR1 4214/4885SMN1; SMN2 2927/4885
US-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B PDE4B 3/4885MCHR1 4214/4885SMN1; SMN2 2927/4885

“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.