SCHEMBL4054309

SCHEMBL4054309

CC1(C)CCc2c(-c3ccco3)nc3sc(C(N)=O)c(N)c3c2C1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EEF2K O00418 14/20 0.72
MAPT P10636 4/20 0.59
HSD17B10 Q99714 2/20 0.59
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 2/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
PKM P14618 1/20 0.59
HPGD P15428 1/20 0.59
ALOX15 P16050 1/20 0.59
CASP1 P29466 1/20 0.59
BLM P54132 1/20 0.59
CASP7 P55210 1/20 0.59
CACNA1B Q00975 1/20 0.59
APBA1 Q02410 1/20 0.59
KMT2A Q03164 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
HTT P42858 2/20 0.55
USP2 O75604 1/20 0.55
PTK2B Q14289 1/20 0.55

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
SCHEMBL16888441 0.84 EEF2K (1.00) EEF2KMAPTHSD17B10KDM4EALDH1A1
SCHEMBL16888388 0.84 EEF2K (1.00) EEF2KMAPTHSD17B10KDM4EALDH1A1
SCHEMBL4048317 0.83 EEF2K (0.72) EEF2KMAPTKDM4EALDH1A1HPGD
SCHEMBL4046258 0.78 MAPT (0.69) EEF2KMAPTKDM4EALDH1A1HPGD
SCHEMBL18196097 0.78 EEF2K (1.00) EEF2KMAPTHSD17B10HTTUSP2
SCHEMBL18186056 0.76 EEF2K (0.86) EEF2KMAPTHSD17B10KDM4EALDH1A1
SCHEMBL4051773 0.75 EEF2K (0.54) EEF2KMAPTKDM4EHTT
SCHEMBL1176286 0.75 IKBKB (0.62) EEF2KMAPTHSD17B10KDM4EALDH1A1
SCHEMBL1176458 0.75 IKBKB (0.68) EEF2KMAPTHSD17B10KDM4EALDH1A1
SCHEMBL1175798 0.74 IKBKB (0.64) EEF2KMAPTHSD17B10KDM4EALDH1A1

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 EEF2K 4335/4885MAPT 2618/4885HSD17B10 1235/4885

“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.