Sugi Predict

Sugi Predict / Compounds / SCHEMBL2640678

SCHEMBL2640678

SCHEMBL2640678

CC(C)(C)OC(=O)Nc1ncc(C2=CCN(C(=O)O)CC2)cc1-c1nnc(-c2ccccc2)o1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 6/20 0.41
▸ GRM1 Q13255 6/20 0.41
▸ TRPV1 Q8NER1 1/20 0.41
▸ NAMPT P43490 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ ATR Q13535 3/20 0.39
▸ CYP11B2 P19099 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ BTK Q06187 1/20 0.37

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
SCHEMBL10310884 0.94 GRM1 (0.48) GRM5GRM1NAMPTATRCYP11B2
SCHEMBL27008067 0.75 GRM1 (0.48) GRM5GRM1NAMPTATRPDK4
SCHEMBL27007962 0.75 GRM1 (0.48) GRM5GRM1NAMPTATRPDK4
SCHEMBL27007840 0.74 GRM1 (0.49) GRM5GRM1NAMPTATRPDK4
SCHEMBL27007935 0.73 SOS1 (0.48) GRM5GRM1TRPV1NAMPTATR
SCHEMBL27025935 0.73 GRM1 (0.57) GRM5GRM1NAMPTATRCYP11B2
SCHEMBL27008026 0.72 GRM1 (0.49) GRM5GRM1NAMPTATRPDK4
SCHEMBL27007998 0.70 GRM1 (0.51) GRM5GRM1NAMPTATRPDK4
SCHEMBL27602036 0.70 NAMPT (0.49) GRM5GRM1NAMPTALDH1A1SMN1; SMN2
SCHEMBL27007742 0.70 GRM1 (0.52) GRM5GRM1NAMPTATRPDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED 2015-08-27 — — US disclosed
US-9096584-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-08-04 — — US disclosed
EP-2569284-B1 2-AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2015-07-08 — — EP disclosed
EP-2569284-A1 2 -AMINOPYRIDINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-12 — — US disclosed
WO-2011143422-A1 2 -AMINOPYRIDINE DERIVATIVES 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 (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-20150239874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 GRM5 3232/4885GRM1 3304/4885TRPV1 4211/4885
US-20120177748-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K20 GRM5 3232/4885GRM1 3304/4885TRPV1 4211/4885

“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.