SCHEMBL4046404

SCHEMBL4046404

CCc1nc2sc3c(Cl)ncnc3c2c2c1CC(C)(C)C2NC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.59
RXFP1 Q9HBX9 2/20 0.59
OPRK1 P41145 1/20 0.59
KDM4E B2RXH2 3/20 0.39
HKDC1 Q2TB90 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CHRM4 P08173 5/20 0.38
CYP2C9 P11712 2/20 0.33
CYP3A4 P08684 1/20 0.33
ALDH1A1 P00352 4/20 0.33
ADRB2 P07550 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
HTT P42858 2/20 0.33
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
PDE4B Q07343 2/20 0.31
PDE4A P27815 1/20 0.31
PDE4D Q08499 1/20 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
SCHEMBL4045451 0.90 POLB (0.60) POLBRXFP1OPRK1KDM4EHKDC1
SCHEMBL4049698 0.80 KDM4E (0.62) POLBRXFP1OPRK1KDM4EHKDC1
SCHEMBL4046397 0.67 PDE4B (0.51) POLBRXFP1OPRK1KDM4ECYP2C9
SCHEMBL4046251 0.65 PDE4B (0.61) POLBRXFP1OPRK1KDM4EALDH1A1
SCHEMBL4046399 0.65 POLB (0.51) POLBRXFP1OPRK1KDM4ECYP2C9
SCHEMBL5011542 0.65 POLB (0.61) POLBRXFP1OPRK1KDM4ETDP1
SCHEMBL4045443 0.64 PDE4B (0.57) POLBRXFP1OPRK1ADRB2HTT
SCHEMBL4045515 0.64 POLB (0.52) POLBRXFP1OPRK1KDM4ECHRM4
SCHEMBL5012458 0.63 POLB (0.59) POLBRXFP1OPRK1KDM4ETDP1
SCHEMBL4045956 0.63 PDE4B (0.57) POLBRXFP1OPRK1KDM4ECHRM4

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.