SCHEMBL4923976

SCHEMBL4923976

CN(C)c1nc(S)c(C#N)c2c1COC(C)(C)C2

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 15/20 0.52
KDM4E B2RXH2 12/20 0.52
HPGD P15428 8/20 0.52
HSD17B10 Q99714 3/20 0.44
GAA P10253 3/20 0.44
MEN1 O00255 2/20 0.44
MAPT P10636 2/20 0.44
ALOX15 P16050 2/20 0.44
CASP1 P29466 2/20 0.44
CASP7 P55210 2/20 0.44
KMT2A Q03164 2/20 0.44
HIF1A Q16665 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HTT P42858 2/20 0.44
ATM Q13315 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
XBP1 P17861 1/20 0.42

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
SCHEMBL5013044 0.78 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL5012401 0.77 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4922970 0.74 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10MEN1
SCHEMBL16222483 0.72 KDM4E (0.55) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL5011522 0.69 KDM4E (0.54) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL5012355 0.68 KDM4E (0.65) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL4711632 0.68 ALDH1A1 (0.69) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL14306176 0.65 IDH1 (0.52) ALDH1A1KDM4EHPGDGAAHIF1A
SCHEMBL31647644 0.62 ALDH1A1 (1.00) ALDH1A1KDM4EHPGDHSD17B10GAA
SCHEMBL15877274 0.62 ALDH1A1 (0.71) ALDH1A1KDM4EHPGDHSD17B10GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080221096-A1 Pyrido[3' ,2':4,5]Furo[3,2-d]Pyrimidine Derivatives LABORATORIOS ALMIRALL, S.A. (ES) 2008-09-11 US disclosed
US-20080207645-A1 Pyridothienopyrimidine Derivatives PAGES SANTACANA LUIS MIGUEL 2008-08-28 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-20080207645-A1 Pyridothienopyrimidine Derivatives PDE4A, PDE5A, PDE3B ALDH1A1 438/4885KDM4E 1526/4885HPGD 25/4885
US-20080221096-A1 Pyrido[3' ,2':4,5]Furo[3,2-d]Pyrimidine Derivatives NR1H2, CBR3, NR4A1 ALDH1A1 2625/4885KDM4E 3618/4885HPGD 1978/4885

“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.