Sugi Predict

Sugi Predict / Compounds / SCHEMBL616736

SCHEMBL616736

SCHEMBL616736

CCS(=O)(=O)N1CCN(c2cnc(N)c(C(=O)CBr)n2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ MAPT P10636 1/20 0.44
▸ HSD17B10 Q99714 4/20 0.38
▸ GPR119 Q8TDV5 3/20 0.37
▸ PTPN11 Q06124 1/20 0.37
▸ PRMT5 O14744 1/20 0.36
▸ CCNE2 O96020 2/20 0.35
▸ CCNE1 P24864 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ CHEK1 O14757 2/20 0.35
▸ RET P07949 2/20 0.35
▸ JAK1 P23458 2/20 0.35
▸ TYK2 P29597 2/20 0.35
▸ FLT3 P36888 2/20 0.35
▸ SYK P43405 2/20 0.35
▸ RPS6KA3 P51812 2/20 0.35
▸ MAPK10 P53779 2/20 0.35
▸ STK4 Q13043 2/20 0.35

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
SCHEMBL615439 0.86 KDM4E (0.47) KDM4EALDH1A1MAPTHSD17B10GPR119
SCHEMBL615859 0.86 KDM4E (0.47) KDM4EALDH1A1MAPTHSD17B10GPR119
SCHEMBL615831 0.85 KDM4E (0.46) KDM4EALDH1A1MAPTHSD17B10GPR119
SCHEMBL13353997 0.81 KDM4E (0.44) KDM4EALDH1A1MAPTHSD17B10GPR119
SCHEMBL615442 0.79 KDM4E (0.41) KDM4EALDH1A1MAPTHSD17B10GPR119
SCHEMBL616492 0.78 ATR (0.58) —
SCHEMBL618433 0.77 KDM4E (0.46) KDM4EALDH1A1MAPTHSD17B10LMNA
SCHEMBL617570 0.77 KDM4E (0.44) KDM4EALDH1A1MAPTHSD17B10CCNE2
SCHEMBL617337 0.76 KDM4E (0.46) KDM4EALDH1A1MAPTHSD17B10PRMT5
SCHEMBL617336 0.76 KDM4E (0.46) KDM4EALDH1A1MAPTHSD17B10PRMT5

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
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-16 — — US 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 KDM4E 2868/4885ALDH1A1 3958/4885MAPT 3458/4885
US-20120040020-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK2, CHEK1 KDM4E 2868/4885ALDH1A1 3958/4885MAPT 3458/4885

“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.