Sugi Predict

Sugi Predict / Compounds / SCHEMBL4462963

SCHEMBL4462963

SCHEMBL4462963

COC(=O)c1cc2cnc3[nH]ccc3c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ CDK8 P49336 1/20 0.43
▸ CSNK2A2 P19784 2/20 0.40
▸ CSNK2B P67870 2/20 0.40
▸ CSNK2A1 P68400 2/20 0.40
▸ KDR P35968 1/20 0.40
▸ AXL P30530 5/20 0.39
▸ ABL1 P00519 3/20 0.39
▸ TTBK1 Q5TCY1 1/20 0.39
▸ TTBK2 Q6IQ55 1/20 0.39
▸ NUDT1 P36639 1/20 0.39
▸ JAK2 O60674 2/20 0.37
▸ JAK1 P23458 2/20 0.37
▸ JAK3 P52333 2/20 0.37
▸ TYK2 P29597 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PAK4 O96013 1/20 0.37
▸ AKT1 P31749 1/20 0.37

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
SCHEMBL4474972 0.88 SLC22A12 (0.39) ALDH1A1CDK8CSNK2A1KDRAXL
SCHEMBL27727539 0.82 CDK8 (0.38) ALDH1A1HPGDCDK8CSNK2A1KDR
SCHEMBL4463894 0.78 MAPT (0.58) ALDH1A1KDM4EMAPT
SCHEMBL4471014 0.76 KIT (0.42) ALDH1A1HPGDKDRJAK2JAK1
SCHEMBL13708161 0.75 JAK2 (0.46) ABL1JAK2JAK1JAK3TYK2
SCHEMBL4472945 0.75 JAK2 (0.50) ALDH1A1HPGDKDRJAK2JAK1
SCHEMBL27727541 0.74 SLC22A12 (0.43) AXLNUDT1JAK2JAK1JAK3
SCHEMBL2632955 0.69 NUDT1 (0.50) CDK8KDRAXLTTBK1TTBK2
SCHEMBL31403755 0.69 NUDT1 (0.50) CDK8KDRAXLTTBK1TTBK2
SCHEMBL9524934 0.69 ALDH1A1 (0.66) ALDH1A1HPGDCSNK2A2CSNK2BCSNK2A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 — — US disclosed
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 — — US disclosed
US-7589101-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2009-09-15 — — US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 — — US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 — — US disclosed
US-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors IRM LLC (BM) 2008-11-20 — — US disclosed
EP-1919924-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM, LLC (BM) 2008-05-14 — — EP disclosed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 — — WO disclosed
WO-2007022268-A2 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2007-02-22 — — WO 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 (1 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-20080287432-A1 Compounds and Compositions as Protein Kinase Inhibitors AURKC, PTK2B, FRK ALDH1A1 3640/4885HPGD 4737/4885CDK8 436/4885

“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.