SCHEMBL4048407

SCHEMBL4048407

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

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
IDH1 O75874 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
SCHEMBL4044801 0.87 PDE4A (0.37) KDM4EALDH1A1HPGD
SCHEMBL4051813 0.80 PDE4B (0.41) KDM4EALDH1A1HPGDIDH1
SCHEMBL1338468 0.78 KDM4E (0.47) KDM4EALDH1A1HPGDIDH1
SCHEMBL4045731 0.77 ALDH1A1 (0.45) KDM4EALDH1A1HPGDIDH1
SCHEMBL4923976 0.77 ALDH1A1 (0.52) KDM4EALDH1A1HPGD
SCHEMBL4049208 0.73 IDH1 (0.39) KDM4EALDH1A1HPGDIDH1
SCHEMBL4044811 0.73 KDM4E (0.39) KDM4EALDH1A1HPGD
SCHEMBL4048583 0.72 ALDH1A1 (0.41) KDM4EALDH1A1HPGDIDH1
SCHEMBL4053983 0.72 ALDH1A1 (0.48) KDM4EALDH1A1HPGD
SCHEMBL2824003 0.69 IDH1 (0.37) KDM4EALDH1A1HPGDIDH1

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 KDM4E 1600/4885ALDH1A1 391/4885HPGD 35/4885

“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.