SCHEMBL4044801

SCHEMBL4044801

CCN(C)c1nc(S)c(C#N)c2c1CCC(C)(C)C2

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4D Q08499 3/20 0.37
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL4051813 0.83 PDE4B (0.41) PDE4APDE4BPDE4DKDM4EALDH1A1
SCHEMBL4044811 0.74 KDM4E (0.39) PDE4APDE4BPDE4DKDM4EALDH1A1
SCHEMBL4049208 0.69 IDH1 (0.39) PDE4BKDM4EALDH1A1HPGDMEN1
SCHEMBL4048583 0.68 ALDH1A1 (0.41) KDM4EALDH1A1HPGDMEN1GAA
SCHEMBL4051819 0.66 KDM4E (0.47) PDE4APDE4BPDE4DKDM4EALDH1A1
SCHEMBL2826099 0.65 ALDH1A1 (0.48) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4923976 0.65 ALDH1A1 (0.52) KDM4EALDH1A1HPGDMEN1POLB
SCHEMBL1338636 0.63 HTT (0.65) KDM4EALDH1A1HPGDPOLBGAA
SCHEMBL1338558 0.62 ALDH1A1 (0.51) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL13172069 0.62 KDM4E (0.42) KDM4EALDH1A1HPGDGAAMAPT

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 PDE4A 2/4885PDE4B 5/4885PDE4D 15/4885

“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.