SCHEMBL2456799

SCHEMBL2456799

CCOC(=O)c1sc(Nc2nc(NC)c3c(n2)N(Cc2ccc(SC)cc2)CC3)nc1C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.51
PDE3A Q14432 3/20 0.51
PDE5A O76074 4/20 0.45
MAPT P10636 7/20 0.44
KDM4E B2RXH2 6/20 0.44
ALDH1A1 P00352 4/20 0.44
LMNA P02545 4/20 0.43
DHODH Q02127 3/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
HPGD P15428 1/20 0.42
PDE2A O00408 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL2206988 0.88 PDE3B (0.65) PDE3BPDE3APDE5AMAPTKDM4E
SCHEMBL2207452 0.83 PDE5A (0.57) PDE3BPDE3APDE5AMAPTKDM4E
SCHEMBL2203773 0.77 PDE3B (0.55) PDE3BPDE3APDE5AMAPTKDM4E
SCHEMBL2206103 0.77 PDE3B (0.55) PDE3BPDE3APDE5AMAPTKDM4E
SCHEMBL2204308 0.76 PDE5A (0.57) PDE3BPDE3APDE5AMAPTKDM4E
SCHEMBL2205488 0.76 PDE3B (0.54) PDE3BPDE3APDE5AMAPTKDM4E
SCHEMBL2208593 0.76 PDE3B (0.49) PDE3BPDE3APDE5AMAPTKDM4E
SCHEMBL2206307 0.76 PDE5A (0.43) PDE3BPDE3APDE5AMAPTKDM4E
SCHEMBL2204958 0.76 PDE5A (0.45) PDE3BPDE3APDE5AMAPTKDM4E
SCHEMBL2203938 0.76 PDE5A (0.42) PDE3BPDE3APDE5AMAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-09-22 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-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF MCL1, FPR1, LTC4S PDE3B 3256/4885PDE3A 3666/4885PDE5A 3946/4885

“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.