Sugi Predict

Sugi Predict / Compounds / SCHEMBL615491

SCHEMBL615491

SCHEMBL615491

CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ncc(N2CCNCC2)nc1C#C[Si](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CKS1B P61024 6/20 0.35
▸ SKP1 P63208 6/20 0.35
▸ SKP2 Q13309 6/20 0.35
▸ JAK3 P52333 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ ACACB O00763 1/20 0.32
▸ ACACA Q13085 1/20 0.32
▸ CSNK1A1 P48729 1/20 0.32
▸ GABRA1 P14867 1/20 0.32
▸ GABRG2 P18507 1/20 0.32
▸ GABRB3 P28472 1/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ GABRA2 P47869 1/20 0.32
▸ GABRA6 Q16445 1/20 0.32
▸ HRH4 Q9H3N8 1/20 0.32
▸ HTR2A P28223 2/20 0.31
▸ HTR2C P28335 2/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL618111 0.85 GPR119 (0.36) CKS1BSKP1SKP2JAK3BTK
SCHEMBL506586 0.77 GABRA1 (0.34) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL615157 0.76 CKS1B (0.37) CKS1BSKP1SKP2ACACBACACA
SCHEMBL14829156 0.72 GABRA1 (0.32) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL616763 0.72 ALDH1A1 (0.37) CKS1BSKP1SKP2JAK3BTK
SCHEMBL615213 0.71 CHEK1 (0.41) CKS1BSKP1SKP2JAK3ACACB
SCHEMBL13354019 0.70 CKS1B (0.40) CKS1BSKP1SKP2ACACBACACA
SCHEMBL616817 0.70 CKS1B (0.44) CKS1BSKP1SKP2
SCHEMBL26647310 0.70 KCNQ3 (0.39) CKS1BSKP1SKP2ALDH1A1CYP2C19
SCHEMBL30068129 0.70 KCNQ3 (0.39) CKS1BSKP1SKP2ALDH1A1CYP2C19

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-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-04-24 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-8410112-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-02 — — US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US disclosed
EP-2370424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2011-10-05 — — EP disclosed
WO-2010054398-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-14 — — 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 (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-20140113005-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 CKS1B 117/4885SKP1 171/4885SKP2 156/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 CKS1B 117/4885SKP1 171/4885SKP2 156/4885

“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.