SCHEMBL4044358

SCHEMBL4044358

CCN(C)c1nc2sc3c(NCc4ccco4)ncnc3c2c2c1CCC(C)(C)C2

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.60
ALDH1A1 P00352 4/20 0.60
HTT P42858 2/20 0.60
LMNA P02545 1/20 0.60
THRB P10828 1/20 0.60
HIF1A Q16665 1/20 0.60
HPGD P15428 2/20 0.59
MAPT P10636 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
PDE4B Q07343 14/20 0.57
ADRB2 P07550 3/20 0.57
PDE4A P27815 11/20 0.54
PDE4D Q08499 11/20 0.54
POLB P06746 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL4176858 0.86 ALDH1A1 (0.67) KDM4EALDH1A1HTTLMNATHRB
SCHEMBL4047423 0.85 PDE4B (0.58) KDM4EALDH1A1HTTLMNATHRB
SCHEMBL4049402 0.85 PDE4B (0.67) PDE4BPDE4APDE4DPOLB
SCHEMBL4051903 0.84 PDE4B (0.72) KDM4EHTTPDE4BPDE4APDE4D
SCHEMBL4045934 0.83 PDE4B (0.67) KDM4EALDH1A1HTTLMNATHRB
SCHEMBL4046459 0.81 PDE4B (0.76) KDM4EALDH1A1HTTLMNATHRB
SCHEMBL4047003 0.81 ALDH1A1 (0.57) KDM4EALDH1A1HTTLMNATHRB
SCHEMBL4049193 0.79 PDE4B (0.81) KDM4EALDH1A1LMNAHPGDPDE4B
SCHEMBL4045448 0.78 POLB (0.50) KDM4EALDH1A1HPGDMAPTRXFP1
SCHEMBL4046062 0.78 PDE4B (0.56) HTTPDE4BPDE4APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819710-B1 NEW PYRIDOTHIENOPYRIMIDINE DERIVATIVES ALMIRALL LAB (ES) 2009-03-11 EP claimed
US-20090029955-A1 Pyridothienopyrimidine Derivatives ALMIRALL PRODESFARMA S.A. (ES) 2009-01-29 US claimed
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 391/4885HTT 3871/4885

“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.