SCHEMBL5722825

SCHEMBL5722825

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 2/20 0.38
ESR1 P03372 1/20 0.38
PDE4B Q07343 1/20 0.37
CREBBP Q92793 5/20 0.37
BRD4 O60885 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
EP300 Q09472 2/20 0.35
SRC P12931 3/20 0.35
LMNA P02545 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
MCHR1 Q99705 1/20 0.34
ABL1 P00519 2/20 0.33
CDK1 P06493 1/20 0.33
KDM4E B2RXH2 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
SCHEMBL4705837 0.83 PDE4B (0.56) MAPK1HTTALDH1A1ESR1PDE4B
SCHEMBL4708365 0.76 PDE4B (0.45) MAPK1HTTALDH1A1ESR1PDE4B
SCHEMBL4706106 0.75 PDE4B (0.44) MAPK1HTTALDH1A1ESR1PDE4B
SCHEMBL4708777 0.73 PDE4B (0.62) ALDH1A1PDE4BCREBBPBRD4SMN1; SMN2
SCHEMBL4706107 0.72 PDE4B (0.70) PDE4BSMN1; SMN2
SCHEMBL1653670 0.70 PDE4B (0.59) PDE4BSMN1; SMN2
SCHEMBL4709794 0.69 PDE4B (0.57) PDE4BSMN1; SMN2MCHR1
SCHEMBL4706656 0.69 PDE4B (0.55) PDE4BSMN1; SMN2CDK4CCND1CCND2
SCHEMBL3039641 0.69 PDE4B (0.52) PDE4BSMN1; SMN2CDK4CCND1CCND2
SCHEMBL4707226 0.69 PDE4B (0.67) MAPK1ALDH1A1PDE4BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20060052379-A1 Pyridazin-3(2h)-one derivatives as pde4 inhibitors PDE4A, PDE3A, PDE4B MAPK1 1176/4885HTT 4780/4885ALDH1A1 525/4885

“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.