SCHEMBL2204979

SCHEMBL2204979

CCOC(=O)c1sc(Nc2nc(N3CCC(O)CC3)c3c(n2)N(Cc2cccs2)CCCC3)nc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 0.57
HPGD P15428 4/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
MAPT P10636 5/20 0.41
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
HSD17B10 Q99714 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DHODH Q02127 3/20 0.40
LMNA P02545 3/20 0.40
KDR P35968 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
USP2 O75604 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
SCHEMBL2458899 0.88 PDE5A (0.56) PDE5AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2208536 0.87 PDE5A (0.57) PDE5AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2205641 0.86 PDE5A (0.60) PDE5AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2208752 0.86 PDE5A (0.57) PDE5AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2206256 0.85 PDE5A (0.56) PDE5AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2204095 0.85 PDE5A (0.57) PDE5AHPGDNPC1RAB9AMAPT
SCHEMBL2204546 0.84 PDE5A (0.55) PDE5AHPGDNPC1RAB9AMAPT
SCHEMBL2202639 0.84 PDE5A (0.57) PDE5AHPGDNPC1RAB9AMAPT
SCHEMBL2205008 0.84 PDE5A (0.57) PDE5AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2208299 0.84 PDE5A (0.56) PDE5AHPGDNPC1RAB9ASMN1; SMN2

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 3946/4885HPGD 252/4885NPC1 3322/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R PDE5A 4015/4885HPGD 311/4885NPC1 3292/4885

“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.