SCHEMBL4049074

SCHEMBL4049074

CCN(C)c1nc2sc(C(N)=O)c(N)c2c2c1CC(C)(C)C2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 1/20 0.50
CDK19 Q9BWU1 1/20 0.50
KDM4E B2RXH2 6/20 0.47
ATM Q13315 3/20 0.47
MAPT P10636 2/20 0.47
NPC1 O15118 1/20 0.47
HTT P42858 1/20 0.47
EEF2K O00418 10/20 0.45
TDP1 Q9NUW8 1/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
GAA P10253 2/20 0.45
IKBKB O14920 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 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
SCHEMBL4047809 0.91 EEF2K (0.52) CDK8CDK19KDM4EATMMAPT
SCHEMBL4052293 0.89 KDM4E (0.53) CDK8CDK19KDM4EATMMAPT
SCHEMBL4048241 0.84 HTT (0.47) CDK8CDK19KDM4EATMMAPT
SCHEMBL4051773 0.81 EEF2K (0.54) CDK8CDK19KDM4EATMMAPT
SCHEMBL4049072 0.77 CDK8 (0.48) CDK8CDK19KDM4EATMMAPT
SCHEMBL5015905 0.75 KDM4E (0.64) CDK8CDK19KDM4EATMMAPT
SCHEMBL4054324 0.74 KDM4E (0.69) CDK8CDK19KDM4EATMMAPT
SCHEMBL4046258 0.74 MAPT (0.69) KDM4EATMMAPTNPC1HTT
SCHEMBL5013092 0.73 KDM4E (0.55) KDM4EATMMAPTHTTTDP1
SCHEMBL4047805 0.72 EEF2K (0.50) CDK8CDK19KDM4EATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP disclosed
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 US disclosed
EP-1819710-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES Laboratorios Almirall, S.A. (ES) 2007-08-22 EP disclosed
WO-2006058724-A1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES LABORATORIOS ALMIRALL, S.A. (ES) 2006-06-08 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-20090029955-A1 Pyridothienopyrimidine Derivatives PNPO, PDE4A, DPYD CDK8 1482/4885CDK19 1936/4885KDM4E 1600/4885

“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.