SCHEMBL4045451

SCHEMBL4045451

CCc1nc2sc3c(Cl)ncnc3c2c2c1CCC(C)(C)C2NC

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
RXFP1 Q9HBX9 2/20 0.60
OPRK1 P41145 2/20 0.60
CHRM4 P08173 5/20 0.37
KDM4E B2RXH2 1/20 0.36
HKDC1 Q2TB90 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PDE4B Q07343 5/20 0.34
PDE4A P27815 4/20 0.34
PDE4D Q08499 4/20 0.34
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NPSR1 Q6W5P4 2/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
RAD52 P43351 1/20 0.32
KMT2A Q03164 1/20 0.32
CDC7 O00311 3/20 0.31
DBF4 Q9UBU7 3/20 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
SCHEMBL4046404 0.90 POLB (0.59) POLBRXFP1OPRK1CHRM4KDM4E
SCHEMBL4049698 0.71 KDM4E (0.62) POLBRXFP1OPRK1KDM4EHKDC1
SCHEMBL4046251 0.68 PDE4B (0.61) POLBRXFP1OPRK1KDM4EPDE4B
SCHEMBL4045443 0.67 PDE4B (0.57) POLBRXFP1OPRK1PDE4BPDE4A
SCHEMBL4045956 0.66 PDE4B (0.57) POLBRXFP1OPRK1CHRM4KDM4E
SCHEMBL5011542 0.65 POLB (0.61) POLBRXFP1OPRK1KDM4ETDP1
SCHEMBL4045448 0.65 POLB (0.50) POLBRXFP1OPRK1KDM4EPDE4B
SCHEMBL4054593 0.65 POLB (0.49) POLBRXFP1OPRK1CHRM4KDM4E
SCHEMBL5012458 0.64 POLB (0.59) POLBRXFP1OPRK1KDM4ETDP1
SCHEMBL4049204 0.64 POLB (0.51) POLBRXFP1OPRK1PDE4BPDE4A

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 378/4885RXFP1 2816/4885OPRK1 2590/4885

“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.