SCHEMBL6068376

SCHEMBL6068376

CCOC(=O)c1sc(Nc2nc(Cl)cc(Cc3ccc(SC)cc3)n2)nc1C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.54
KDM4E B2RXH2 6/20 0.54
ALDH1A1 P00352 5/20 0.54
DHODH Q02127 5/20 0.52
LMNA P02545 4/20 0.52
PDE5A O76074 2/20 0.49
RAB9A P51151 3/20 0.49
NPC1 O15118 2/20 0.49
HPGD P15428 2/20 0.49
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
NPSR1 Q6W5P4 3/20 0.48
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
TP53 P04637 1/20 0.46

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
SCHEMBL6068285 0.83 MAPT (0.72) MAPTKDM4EALDH1A1DHODHLMNA
SCHEMBL291479 0.83 PDE5A (0.73) MAPTKDM4EALDH1A1DHODHLMNA
SCHEMBL30007096 0.83 PDE5A (0.73) MAPTKDM4EALDH1A1DHODHLMNA
SCHEMBL6625238 0.81 MAPT (0.61) MAPTKDM4EALDH1A1DHODHLMNA
SCHEMBL6068252 0.79 MAPT (0.66) MAPTKDM4EALDH1A1DHODHLMNA
SCHEMBL6068519 0.78 MAPT (0.62) MAPTKDM4EALDH1A1DHODHLMNA
SCHEMBL6068333 0.75 MAPT (0.61) MAPTKDM4EALDH1A1DHODHLMNA
SCHEMBL7110275 0.75 MAPT (0.49) MAPTKDM4EALDH1A1DHODHLMNA
SCHEMBL2456799 0.75 PDE3B (0.51) MAPTKDM4EALDH1A1DHODHLMNA
SCHEMBL6068363 0.74 MAPT (0.56) MAPTKDM4EALDH1A1DHODHLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7087614-B2 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB CO. (US) 2006-08-08 US disclosed
EP-1397142-A4 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL MYERS SQUIBB CO (US) 2004-11-03 EP disclosed
EP-1397142-A2 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 Bristol-Myers Squibb Company (US) 2004-03-17 EP disclosed
US-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 US disclosed
WO-2002102313-A2 PYRIMIDINE INHIBITORS OF PHOSPHODIESTERASE (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-27 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-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 PDE7A, PDE7B, PDE3A MAPT 4514/4885KDM4E 1254/4885ALDH1A1 475/4885

“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.