SCHEMBL4047111

SCHEMBL4047111

CN1CCN(c2nc3sc4c(=O)[nH]cnc4c3c3c2CCC(C)(C)C3)CC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
HPGD P15428 4/20 0.60
ALDH1A1 P00352 3/20 0.60
HIF1A Q16665 1/20 0.60
PDE4B Q07343 10/20 0.56
PDE4A P27815 6/20 0.50
PDE4D Q08499 6/20 0.50
TDP1 Q9NUW8 2/20 0.48
HKDC1 Q2TB90 1/20 0.48
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
POLB P06746 2/20 0.44
HSD17B10 Q99714 2/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL4046467 0.92 KDM4E (0.61) KDM4EHPGDALDH1A1HIF1APDE4B
SCHEMBL5245426 0.91 KDM4E (0.61) KDM4EHPGDALDH1A1HIF1APDE4B
SCHEMBL4044859 0.90 ALDH1A1 (0.74) KDM4EHPGDALDH1A1HIF1APDE4B
SCHEMBL4045742 0.84 KDM4E (0.66) KDM4EHPGDALDH1A1HIF1APDE4B
SCHEMBL5015896 0.84 ALDH1A1 (0.61) KDM4EHPGDALDH1A1HIF1APDE4B
SCHEMBL4045649 0.82 KDM4E (0.55) KDM4EHPGDALDH1A1HIF1APDE4B
SCHEMBL4048607 0.81 PDE4B (0.64) KDM4EALDH1A1PDE4BPDE4APDE4D
SCHEMBL4046040 0.77 HPGD (0.74) KDM4EHPGDALDH1A1HIF1APDE4B
SCHEMBL5011421 0.76 ALDH1A1 (0.67) KDM4EHPGDALDH1A1HIF1APDE4B
SCHEMBL4052185 0.76 KDM4E (0.73) KDM4EHPGDALDH1A1HIF1APDE4B

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 1600/4885HPGD 35/4885ALDH1A1 391/4885

“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.