Sugi Predict

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SCHEMBL506457

SCHEMBL506457

CN(Cc1ccc(C=O)c(F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 1/20 0.40
▸ HTR2C P28335 4/20 0.38
▸ SLC6A4 P31645 4/20 0.38
▸ RIPK1 Q13546 4/20 0.38
▸ GLS O94925 2/20 0.38
▸ CACNA1G O43497 1/20 0.37
▸ CACNA1B Q00975 1/20 0.37
▸ CACNA1C Q13936 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HDAC3 O15379 1/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34
▸ TUBB3 Q13509 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ TUBB2A Q13885 1/20 0.34

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
SCHEMBL506166 0.86 HTR2C (0.36) GRM2HTR2CSLC6A4RIPK1GLS
SCHEMBL506165 0.86 HTR2C (0.36) GRM2HTR2CSLC6A4RIPK1GLS
SCHEMBL15424207 0.85 HTR2C (0.40) GRM2HTR2CSLC6A4RIPK1GLS
SCHEMBL3080815 0.82 HTR2C (0.40) HTR2CSLC6A4RIPK1GLSCACNA1G
SCHEMBL18416938 0.82 SSTR4 (0.40) GRM2HTR2CSLC6A4RIPK1GLS
SCHEMBL506105 0.81 RIPK1 (0.40) GRM2HTR2CSLC6A4RIPK1GLS
SCHEMBL30244191 0.79 HTR2C (0.38) GRM2HTR2CSLC6A4RIPK1GLS
SCHEMBL20692404 0.79 HTR2C (0.38) GRM2HTR2CSLC6A4RIPK1GLS
SCHEMBL29607632 0.78 PDK2 (0.53) —
SCHEMBL1936823 0.78 HTR2C (0.40) HTR2CSLC6A4RIPK1GLSCACNA1G

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 GRM2 2709/4885HTR2C 4405/4885SLC6A4 4773/4885

“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.