Sugi Predict

Sugi Predict / Compounds / SCHEMBL617428

SCHEMBL617428

SCHEMBL617428

CN(C)S(=O)(=O)N1CCN(c2cnc(N)c(C(=O)Nc3ccccn3)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 10/20 0.58
▸ ATR Q13535 2/20 0.52
▸ PTPN11 Q06124 1/20 0.44
▸ SORD Q00796 3/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ JAK3 P52333 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ CCNE2 O96020 1/20 0.41
▸ CCNE1 P24864 1/20 0.41
▸ CDK2 P24941 1/20 0.41
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL617575 0.89 GRM5 (0.61) GRM5ATRPTPN11NPC1RAB9A
SCHEMBL614918 0.89 GRM5 (0.61) GRM5ATRPTPN11CCNE2CCNE1
SCHEMBL617208 0.86 GRM5 (0.57) GRM5ATRPTPN11
SCHEMBL616654 0.86 GRM5 (0.56) GRM5ATRNPC1RAB9ALMNA
SCHEMBL617460 0.86 GRM5 (0.56) GRM5ATRPTPN11NPC1RAB9A
SCHEMBL616624 0.85 GRM5 (0.60) GRM5ATRPTPN11JAK3BTK
SCHEMBL616888 0.84 GRM5 (0.54) GRM5ATRPTPN11NPC1RAB9A
SCHEMBL617037 0.83 GRM5 (0.53) GRM5ATRPTPN11
SCHEMBL615928 0.83 GRM5 (0.64) GRM5ATRPTPN11
SCHEMBL615489 0.83 ATR (0.56) GRM5ATRNPC1RAB9ALMNA

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 7 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
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — 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 (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 GRM5 3215/4885ATR 1/4885PTPN11 1523/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 GRM5 3215/4885ATR 1/4885PTPN11 1523/4885

“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.