SCHEMBL6068418

SCHEMBL6068418

CCOC(=O)c1sc(Nc2nc(Cl)cc(N3CCN(C(=O)OC(C)(C)C)CC3)n2)nc1C

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.61
MAPT P10636 6/20 0.50
KDM4E B2RXH2 5/20 0.50
ALDH1A1 P00352 4/20 0.50
DHODH Q02127 5/20 0.48
LMNA P02545 3/20 0.48
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
CASP3 P42574 1/20 0.43
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
NPSR1 Q6W5P4 2/20 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
SCHEMBL6068453 0.87 PDE5A (0.68) PDE5AMAPTKDM4EALDH1A1DHODH
SCHEMBL6068237 0.81 PDE5A (0.77) PDE5AMAPTKDM4EALDH1A1DHODH
SCHEMBL290735 0.80 PDE5A (0.78) PDE5AMAPTKDM4EALDH1A1DHODH
SCHEMBL6068285 0.79 MAPT (0.72) PDE5AMAPTKDM4EALDH1A1DHODH
SCHEMBL290868 0.79 PDE5A (0.65) PDE5AMAPTKDM4EALDH1A1DHODH
SCHEMBL28862568 0.78 PDE5A (0.66) PDE5AMAPTKDM4EALDH1A1DHODH
SCHEMBL291120 0.77 PDE5A (0.76) PDE5AMAPTKDM4EALDH1A1DHODH
SCHEMBL290844 0.76 PDE5A (1.00) PDE5AMAPTKDM4EALDH1A1DHODH
SCHEMBL5862466 0.76 PDE5A (0.44) PDE5AMAPTKDM4EALDH1A1DHODH
SCHEMBL28581338 0.76 PDE5A (0.74) PDE5AMAPTKDM4EALDH1A1DHODH

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 2 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
US-20030162802-A1 Pyrimidine inhibitors of phosphodiesterase (PDE) 7 BRISTOL-MYERS SQUIBB COMPANY 2003-08-28 US 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 PDE5A 5/4885MAPT 4514/4885KDM4E 1254/4885

“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.