SCHEMBL4048398

SCHEMBL4048398

CC1(C)CCc2c(N3CCOCC3)nc3sc4c(Cl)ncnc4c3c21

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 10/20 0.69
PDE4A P27815 6/20 0.53
PDE4D Q08499 6/20 0.53
EEF2K O00418 1/20 0.52
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 4/20 0.50
HPGD P15428 3/20 0.50
HSD17B10 Q99714 1/20 0.50
TSHR P16473 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
AGTR1 P30556 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAPK1 P28482 1/20 0.48
ADRB2 P07550 1/20 0.48
GAA P10253 1/20 0.48
THRB P10828 1/20 0.47

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
SCHEMBL4057386 0.85 PDE4B (0.69) PDE4BPDE4APDE4DEEF2KKDM4E
SCHEMBL4046032 0.83 PDE4B (0.67) PDE4BPDE4APDE4DEEF2KKDM4E
SCHEMBL4047508 0.82 PDE4B (1.00) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL19805199 0.81 EEF2K (0.77) EEF2KKDM4EALDH1A1KMT2AHPGD
SCHEMBL4053824 0.81 ALDH1A1 (0.67) PDE4BPDE4APDE4DEEF2KKDM4E
SCHEMBL5013083 0.80 TSHR (0.71) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4049404 0.79 PDE4B (0.70) PDE4BPDE4APDE4DEEF2KKDM4E
SCHEMBL4054593 0.77 POLB (0.49) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL4048652 0.77 PDE4B (0.80) PDE4BPDE4APDE4DKDM4EALDH1A1
SCHEMBL5013058 0.77 PDE4B (0.71) PDE4BPDE4APDE4DEEF2KKDM4E

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 5/4885PDE4A 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.