SCHEMBL4044811

SCHEMBL4044811

CCCNc1nc(S)c(C#N)c2c1CCC(C)(C)C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 12/20 0.39
ALDH1A1 P00352 10/20 0.39
HPGD P15428 5/20 0.39
GAA P10253 3/20 0.39
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 3/20 0.39
XBP1 P17861 2/20 0.39
MEN1 O00255 2/20 0.39
LMNA P02545 1/20 0.37
PDE4A P27815 2/20 0.36
PDE4B Q07343 2/20 0.36
PDE4D Q08499 2/20 0.36
HTT P42858 1/20 0.34
POLB P06746 1/20 0.34

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 0.74 PDE4A (0.37) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4048407 0.73 KDM4E (0.32) KDM4EALDH1A1HPGD
SCHEMBL4045731 0.72 ALDH1A1 (0.45) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4049208 0.71 IDH1 (0.39) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4048583 0.70 ALDH1A1 (0.41) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4053983 0.70 ALDH1A1 (0.48) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL4051813 0.66 PDE4B (0.41) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL5011522 0.66 KDM4E (0.54) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL5012355 0.65 KDM4E (0.65) KDM4EALDH1A1HPGDGAAMAPT
SCHEMBL2824003 0.65 IDH1 (0.37) KDM4EALDH1A1HPGD

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.