Sugi Predict

Sugi Predict / Compounds / SCHEMBL506451

SCHEMBL506451

SCHEMBL506451

Cc1ccc(-c2cc(-c3nc(Br)cnc3N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)on2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 1/20 0.40
▸ NPC1 O15118 4/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ PDPK1 O15530 1/20 0.34
▸ ATR Q13535 4/20 0.34
▸ ATM Q13315 3/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ RET P07949 2/20 0.33
▸ TP53 P04637 2/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ CDK7 P50613 1/20 0.33
▸ CDK5 Q00535 1/20 0.33

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
SCHEMBL30275196 0.91 PPARA (0.38) PPARANPC1RAB9APDPK1ATR
SCHEMBL30275172 0.91 PPARA (0.38) PPARANPC1RAB9APDPK1ATR
SCHEMBL2485704 0.91 RAB9A (0.40) PPARANPC1RAB9ACASP3SENP8
SCHEMBL29243965 0.90 ABCB1 (0.41) PPARANPC1RAB9APDPK1ATR
SCHEMBL30275257 0.90 ATR (0.37) PPARAPDPK1ATRATMGSK3B
SCHEMBL506684 0.90 ATR (0.37) PPARAPDPK1ATRATMGSK3B
SCHEMBL30829221 0.90 PKM (0.40) PPARANPC1RAB9ASMN1; SMN2PDPK1
SCHEMBL29244004 0.90 PKM (0.40) PPARANPC1RAB9ASMN1; SMN2PDPK1
SCHEMBL506966 0.89 ATR (0.36) PPARAPDPK1ATRATMGSK3B
SCHEMBL28952538 0.89 TP53 (0.36) PPARASMN1; SMN2PDPK1ATRATM

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-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 — — US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 — — US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 — — US disclosed
EP-2569313-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 — — US disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — WO disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — 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-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 PPARA 3722/4885NPC1 4238/4885RAB9A 2945/4885

“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.