Sugi Predict

Sugi Predict / Compounds / SCHEMBL2204563

SCHEMBL2204563

SCHEMBL2204563

CCOC(=O)c1sc(Nc2nc3c(c(N4CCC(O)CC4)n2)CCCCN3CCc2ccc(OC)cc2)nc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 7/20 0.57
▸ RXFP1 Q9HBX9 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ LMNA P02545 2/20 0.43
▸ NPC1 O15118 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HPGD P15428 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ DHODH Q02127 2/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39

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
SCHEMBL2204095 0.94 PDE5A (0.57) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL2209018 0.93 PDE5A (0.57) PDE5ARXFP1ALDH1A1MAPTKDM4E
SCHEMBL2205641 0.89 PDE5A (0.60) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL2203670 0.84 PDE5A (0.57) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL2208752 0.84 PDE5A (0.57) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL2205026 0.84 PDE5A (0.56) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL2206256 0.84 PDE5A (0.56) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL2206414 0.84 PDE5A (0.59) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL2204546 0.83 PDE5A (0.55) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL2202639 0.83 PDE5A (0.57) PDE5AALDH1A1MAPTKDM4ELMNA

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 3946/4885RXFP1 2526/4885ALDH1A1 522/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R PDE5A 4015/4885RXFP1 2392/4885ALDH1A1 603/4885

“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.