Sugi Predict

Sugi Predict / Compounds / SCHEMBL2203202

SCHEMBL2203202

SCHEMBL2203202

CCOC(=O)c1sc(Nc2nc(N3CCOCC3)c3c(n2)N(Cc2ccc(C(N)=O)cc2)CCC3)nc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CSNK1D P48730 1/20 0.48
▸ KDM4E B2RXH2 7/20 0.47
▸ ALDH1A1 P00352 6/20 0.47
▸ HPGD P15428 4/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MAPT P10636 6/20 0.45
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ PDE5A O76074 4/20 0.44
▸ DHODH Q02127 3/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.43
▸ PDE3B Q13370 1/20 0.41
▸ PDE3A Q14432 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MTOR P42345 1/20 0.41
▸ LMNA P02545 1/20 0.40
▸ LRRK2 Q5S007 1/20 0.40

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
SCHEMBL2202639 0.91 PDE5A (0.57) KDM4EALDH1A1HPGDHSD17B10MAPT
SCHEMBL2201810 0.91 PDE5A (0.53) CSNK1DKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2208044 0.90 CSNK1D (0.46) CSNK1DKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2207759 0.89 PDE5A (0.53) CSNK1DKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2206114 0.89 CSNK1D (0.51) CSNK1DKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2205578 0.89 NPSR1 (0.48) CSNK1DKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2205379 0.88 NPSR1 (0.44) CSNK1DKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2205676 0.88 CSNK1D (0.43) CSNK1DKDM4EALDH1A1HPGDHSD17B10
SCHEMBL2203432 0.87 PDE5A (0.45) KDM4EALDH1A1HPGDMAPTPDE5A
SCHEMBL2205128 0.86 NPSR1 (0.43) CSNK1DKDM4EALDH1A1HPGDHSD17B10

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 CSNK1D 1835/4885KDM4E 2626/4885ALDH1A1 522/4885
US-20080293650-A1 Fused Heterocyclic Compounds and Use Thereof MCL1, FPR1, LTB4R CSNK1D 1777/4885KDM4E 2243/4885ALDH1A1 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.