SCHEMBL4045560

SCHEMBL4045560

CN(C)c1nc2sc3c(NCCC#N)ncnc3c2c2c1CCC(C)(C)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 15/20 0.56
PDE4A P27815 11/20 0.55
PDE4D Q08499 11/20 0.55
RAD52 P43351 3/20 0.49
KMT2A Q03164 3/20 0.49
ADRB2 P07550 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
HTT P42858 2/20 0.45
NSD2 O96028 1/20 0.45
RECQL P46063 1/20 0.45
KDM4E B2RXH2 1/20 0.45
MAPT P10636 1/20 0.45
IDE P14735 1/20 0.45
MAPK1 P28482 1/20 0.45
UBE2N P61088 1/20 0.45
ABL1 P00519 1/20 0.43
LMNA P02545 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
RIN1 Q13671 1/20 0.43

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
SCHEMBL4051584 0.82 PDE4B (0.75) PDE4BPDE4APDE4DRAD52KMT2A
SCHEMBL4053743 0.82 PDE4B (0.52) PDE4BPDE4APDE4DRAD52KMT2A
SCHEMBL4051950 0.80 PDE4B (0.65) PDE4BPDE4APDE4DADRB2KDM4E
SCHEMBL4046734 0.79 PDE4B (0.71) PDE4BPDE4APDE4DHTTKDM4E
SCHEMBL4049204 0.78 POLB (0.51) PDE4BPDE4APDE4DRAD52KMT2A
SCHEMBL4050675 0.78 PDE4B (0.61) PDE4BPDE4APDE4DADRB2KDM4E
SCHEMBL4045473 0.77 POLB (0.47) PDE4BPDE4APDE4DL3MBTL1KDM4E
SCHEMBL4049077 0.77 PDE4B (0.63) PDE4BPDE4APDE4DRAD52KMT2A
SCHEMBL4045788 0.77 PDE4B (0.72) PDE4BPDE4APDE4DRAD52KMT2A
SCHEMBL4046593 0.76 PDE4B (0.69) PDE4BPDE4APDE4DRAD52KMT2A

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 PDE4B 5/4885PDE4A 2/4885PDE4D 15/4885

“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.