Sugi Predict

Sugi Predict / Compounds / SCHEMBL2207930

SCHEMBL2207930

SCHEMBL2207930

CCOC(=O)c1sc(Nc2nc3c(c(N(CO)CC(C)C)n2)CCCN3Cc2ccc(S(=O)(=O)NC)cc2)nc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 2/20 0.43
▸ PDE3A Q14432 2/20 0.43
▸ PDE5A O76074 4/20 0.42
▸ ALDH1A1 P00352 6/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ LMNA P02545 3/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ MEN1 O00255 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DHODH Q02127 2/20 0.38
▸ NPSR1 Q6W5P4 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ MAPT P10636 3/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL2209321 0.90 PDE3B (0.46) PDE3BPDE3APDE5AALDH1A1SMN1; SMN2
SCHEMBL2207935 0.84 PDE3B (0.47) PDE3BPDE3APDE5AALDH1A1SMN1; SMN2
SCHEMBL2208593 0.83 PDE3B (0.49) PDE3BPDE3APDE5AALDH1A1SMN1; SMN2
SCHEMBL2205578 0.83 NPSR1 (0.48) PDE3BPDE3APDE5AALDH1A1SMN1; SMN2
SCHEMBL2207950 0.83 PDE3B (0.54) PDE3BPDE3APDE5AALDH1A1SMN1; SMN2
SCHEMBL2207983 0.83 PDE5A (0.55) PDE3BPDE3APDE5AALDH1A1SMN1; SMN2
SCHEMBL2207179 0.82 PDE3B (0.47) PDE3BPDE3APDE5AALDH1A1SMN1; SMN2
SCHEMBL2205411 0.82 PDE5A (0.52) PDE3BPDE3APDE5AALDH1A1SMN1; SMN2
SCHEMBL2205274 0.81 PDE5A (0.46) PDE3BPDE3APDE5AALDH1A1SMN1; SMN2
SCHEMBL2205299 0.81 PDE3B (0.46) PDE3BPDE3APDE5AALDH1A1SMN1; 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 4 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 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.