Sugi Predict

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SCHEMBL4817685

SCHEMBL4817685

CSc1ncnn2ccc(CN(CCCNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA14 Q9ULX7 1/20 0.36
▸ CSNK2A2 P19784 1/20 0.36
▸ CSNK2A1 P68400 1/20 0.36
▸ CKS1B P61024 1/20 0.35
▸ SKP1 P63208 1/20 0.35
▸ SKP2 Q13309 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.35
▸ SSTR4 P31391 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ CA12 O43570 4/20 0.33
▸ CA1 P00915 4/20 0.33
▸ CA2 P00918 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ CCNC P24863 1/20 0.33
▸ CDK8 P49336 1/20 0.33
▸ STK17B O94768 1/20 0.32
▸ STK17A Q9UEE5 1/20 0.32

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
SCHEMBL14017705 0.83 MAOA (0.39) CSNK2A2CSNK2A1AAK1HTTTDP1
SCHEMBL4822803 0.79 MET (0.42) CSNK2A2CSNK2A1AAK1
SCHEMBL14017708 0.74 AAK1 (0.44) CKS1BSKP1SKP2AAK1DRD2
SCHEMBL1219397 0.70 AAK1 (0.61) CKS1BSKP1SKP2AAK1
SCHEMBL13237 0.69 CA14 (0.47) CA14SSTR4TDP1CA12CA1
SCHEMBL8714161 0.69 CA14 (0.68) CA14CKS1BSKP1SKP2HTT
SCHEMBL1683401 0.68 SCN9A (0.40) CSNK2A2CSNK2A1HTTCA12CA1
SCHEMBL22175713 0.67 CA14 (0.47) CA14TDP1DRD2CA12CA1
SCHEMBL13055410 0.67 CA14 (0.68) CA14HTTTDP1DRD2CA12
SCHEMBL13055400 0.67 CA14 (0.64) CA14CKS1BSKP1SKP2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7439246-B2 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-10-21 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-7173031-B2 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-06 — — US disclosed
US-20060211695-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-09-21 — — US disclosed
US-20060004006-A1 Pyrrolotriazine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2006-01-05 — — US disclosed
US-20050288290-A1 Fused heterocyclic kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2005-12-29 — — 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 (3 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-20050288290-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 CA14 4491/4885CSNK2A2 100/4885CSNK2A1 62/4885
US-20060004006-A1 Pyrrolotriazine kinase inhibitors MAP3K5, MAP3K15, MAP4K2 CA14 4746/4885CSNK2A2 96/4885CSNK2A1 67/4885
US-20060211695-A1 Fused heterocyclic kinase inhibitors MAP3K20, MAP3K19, ABL1 CA14 4491/4885CSNK2A2 100/4885CSNK2A1 62/4885

“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.