SCHEMBL2204546

SCHEMBL2204546

CCOC(=O)c1sc(Nc2nc(N3CCC(O)CC3)c3c(n2)N(Cc2ccc([N+](=O)[O-])cc2)CCCC3)nc1C

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 5/20 0.55
PDE3B Q13370 2/20 0.42
PDE3A Q14432 2/20 0.42
DHODH Q02127 4/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 5/20 0.40
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PDE2A O00408 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
MEN1 O00255 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
SCHEMBL2208752 0.90 PDE5A (0.57) PDE5APDE3BPDE3ADHODHMAPT
SCHEMBL2206256 0.90 PDE5A (0.56) PDE5APDE3BPDE3ADHODHMAPT
SCHEMBL2208299 0.88 PDE5A (0.56) PDE5APDE3BPDE3ADHODHMAPT
SCHEMBL2207983 0.88 PDE5A (0.55) PDE5APDE3BPDE3ADHODHMAPT
SCHEMBL2202639 0.87 PDE5A (0.57) PDE5APDE3BPDE3ADHODHMAPT
SCHEMBL2206801 0.85 PDE5A (0.54) PDE5APDE3BPDE3ADHODHMAPT
SCHEMBL2207992 0.85 PDE5A (0.54) PDE5APDE3BPDE3ADHODHMAPT
SCHEMBL2203670 0.85 PDE5A (0.57) PDE5APDE3BPDE3ADHODHMAPT
SCHEMBL2209018 0.84 PDE5A (0.57) PDE5APDE3BPDE3ADHODHMAPT
SCHEMBL2204979 0.84 PDE5A (0.57) PDE5APDE3BPDE3ADHODHMAPT

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-20110230468-A1 FUSED HETEROCYCLIC COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY 2011-09-22 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 PDE5A 3946/4885PDE3B 3256/4885PDE3A 3666/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R PDE5A 4015/4885PDE3B 3217/4885PDE3A 3655/4885

“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.