SCHEMBL4049419

SCHEMBL4049419

CC1(C)Cc2c(NCCc3ccccc3)nc3sc4c(Cl)ncnc4c3c2C1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 13/20 0.47
POLB P06746 2/20 0.46
PDE4A P27815 8/20 0.44
PDE4D Q08499 8/20 0.44
OPRK1 P41145 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 3/20 0.41
RAD52 P43351 2/20 0.41
MAPT P10636 1/20 0.41
IDE P14735 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
ADRB2 P07550 3/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL4046397 0.86 PDE4B (0.51) PDE4BPOLBPDE4APDE4DOPRK1
SCHEMBL4049234 0.81 KDM4E (0.49) PDE4BPOLBPDE4APDE4DRXFP1
SCHEMBL4045443 0.79 PDE4B (0.57) PDE4BPOLBPDE4APDE4DOPRK1
SCHEMBL4049422 0.78 PDE4B (0.56) PDE4BPOLBPDE4APDE4DOPRK1
SCHEMBL5070029 0.73 ADRB2 (0.77) PDE4BPOLBPDE4APDE4DRXFP1
SCHEMBL4048237 0.72 ALDH1A1 (0.45) RXFP1KDM4EMAPTHTTALDH1A1
SCHEMBL4045515 0.72 POLB (0.52) PDE4BPOLBPDE4APDE4DOPRK1
SCHEMBL4048665 0.72 KDM4E (0.56) PDE4BPOLBPDE4APDE4DOPRK1
SCHEMBL5013107 0.71 POLB (0.51) PDE4BPOLBPDE4APDE4DRXFP1
SCHEMBL4046399 0.71 POLB (0.51) PDE4BPOLBPDE4APDE4DOPRK1

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 PDE4B 5/4885POLB 378/4885PDE4A 2/4885

“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.