SCHEMBL2203591

SCHEMBL2203591

CCOC(=O)c1sc(Nc2nc(N3CCC(N(C)C)CC3)c3c(n2)N(Cc2ccc(S(C)(=O)=O)cc2)CC3)nc1C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.52
PDE3A Q14432 2/20 0.52
PDE5A O76074 7/20 0.51
PDE2A O00408 1/20 0.41
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPT P10636 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 3/20 0.39
DHODH Q02127 1/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2205223 0.91 PDE3B (0.52) PDE3BPDE3APDE5APDE2AALDH1A1
SCHEMBL2203773 0.89 PDE3B (0.55) PDE3BPDE3APDE5APDE2AALDH1A1
SCHEMBL2204308 0.88 PDE5A (0.57) PDE3BPDE3APDE5APDE2AALDH1A1
SCHEMBL2205488 0.88 PDE3B (0.54) PDE3BPDE3APDE5APDE2AALDH1A1
SCHEMBL2208752 0.88 PDE5A (0.57) PDE3BPDE3APDE5APDE2AALDH1A1
SCHEMBL2206103 0.88 PDE3B (0.55) PDE3BPDE3APDE5APDE2AALDH1A1
SCHEMBL2205684 0.86 PDE3B (0.49) PDE3BPDE3APDE5APDE2AALDH1A1
SCHEMBL2204570 0.85 PDE3B (0.50) PDE3BPDE3APDE5APDE2AALDH1A1
SCHEMBL2206988 0.85 PDE3B (0.65) PDE3BPDE3APDE5APDE2AALDH1A1
SCHEMBL2204912 0.84 PDE5A (0.56) PDE3BPDE3APDE5APDE2AALDH1A1

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-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US claimed
US-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-09-22 US disclosed
US-7981881-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2011-07-19 US disclosed
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof BRISTOL-MYERS SQUIBB COMPANY 2008-11-27 US disclosed
US-7384937-B2 Fused heterocyclic compounds and use thereof BRISTOL-MYERS SQUIBB CO. (US) 2008-06-10 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 (2 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
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R PDE3B 3217/4885PDE3A 3655/4885PDE5A 4015/4885

“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.