SCHEMBL4054593

SCHEMBL4054593

CN(C)c1nc2sc3c(Cl)ncnc3c2c2c1CCC2(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
OPRK1 P41145 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
PDE4B Q07343 3/20 0.42
PDE4A P27815 1/20 0.39
PDE4D Q08499 1/20 0.39
CHRM4 P08173 7/20 0.37
CDC7 O00311 4/20 0.37
DBF4 Q9UBU7 4/20 0.37
LIMK1 P53667 1/20 0.34
GRM5 P41594 1/20 0.34
GRM1 Q13255 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
GAA P10253 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 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
SCHEMBL4049204 0.83 POLB (0.51) POLBOPRK1RXFP1PDE4BPDE4A
SCHEMBL4045515 0.81 POLB (0.52) POLBOPRK1RXFP1PDE4BPDE4A
SCHEMBL4046166 0.78 KDM4E (0.51) POLBRXFP1PDE4BCDC7KDM4E
SCHEMBL4048398 0.77 PDE4B (0.69) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4047003 0.75 ALDH1A1 (0.57) POLBRXFP1PDE4BPDE4APDE4D
SCHEMBL4047105 0.74 PDE4B (0.52) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4045448 0.74 POLB (0.50) POLBOPRK1RXFP1PDE4BPDE4A
SCHEMBL4046645 0.73 PDE4B (0.60) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4053613 0.73 PDE4B (0.61) RXFP1PDE4BPDE4APDE4DKDM4E
SCHEMBL4045300 0.73 PDE4B (0.51) POLBRXFP1PDE4BPDE4APDE4D

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 POLB 378/4885OPRK1 2590/4885RXFP1 2816/4885

“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.