Sugi Predict

Sugi Predict / Compounds / SCHEMBL8963158

SCHEMBL8963158

SCHEMBL8963158

CC(C)(C)OC(=O)N1CCCN(c2cccc(C(=O)c3cncc(Br)c3)n2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 2/20 0.55
▸ SKP1 P63208 2/20 0.55
▸ SKP2 Q13309 2/20 0.55
▸ HSD17B14 Q9BPX1 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.41
▸ BACE1 P56817 2/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ GBA1 P04062 1/20 0.40
▸ GPR119 Q8TDV5 1/20 0.39
▸ GALR2 O43603 1/20 0.38
▸ GALR1 P47211 1/20 0.38
▸ PRKCQ Q04759 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38

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
SCHEMBL8964020 0.90 HSD17B14 (0.43) CKS1BSKP1SKP2HSD17B14ALDH1A1
SCHEMBL8964092 0.88 CKS1B (0.46) CKS1BSKP1SKP2HSD17B14ALDH1A1
SCHEMBL8963929 0.88 CKS1B (0.51) CKS1BSKP1SKP2HSD17B14PDE10A
SCHEMBL8963540 0.88 CKS1B (0.60) CKS1BSKP1SKP2HSD17B14PDE10A
SCHEMBL8963921 0.86 CKS1B (0.51) CKS1BSKP1SKP2HSD17B14PDE10A
SCHEMBL8963893 0.86 CKS1B (0.54) CKS1BSKP1SKP2HSD17B14PDE10A
SCHEMBL8963114 0.86 CKS1B (0.55) CKS1BSKP1SKP2HSD17B14PDE10A
SCHEMBL8963912 0.85 CKS1B (0.52) CKS1BSKP1SKP2HSD17B14PDE10A
SCHEMBL8964005 0.84 HSD17B14 (0.43) CKS1BSKP1SKP2HSD17B14MAP4K4
SCHEMBL1481538 0.83 CKS1B (0.52) CKS1BSKP1SKP2PDE10ABACE1

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-20140221334-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-08-07 — — US disclosed
US-8741931-B2 Kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2014-06-03 — — US disclosed
US-20120214799-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 — — US disclosed
US-8188071-B2 Amino substituted pyridines as potent kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-05-29 — — US disclosed
US-20110077237-A1 KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-31 — — 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-20140221334-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CKS1B 137/4885SKP1 386/4885SKP2 219/4885
US-20120214799-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CKS1B 137/4885SKP1 386/4885SKP2 219/4885
US-20110077237-A1 KINASE INHIBITORS MAP3K20, MAP3K1, MAP3K6 CKS1B 137/4885SKP1 386/4885SKP2 219/4885

“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.