Sugi Predict

Sugi Predict / Compounds / SCHEMBL14865808

SCHEMBL14865808

SCHEMBL14865808

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACVR1 Q04771 5/20 0.37
▸ ATR Q13535 7/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ ATM Q13315 2/20 0.35
▸ CXCR1 P25024 4/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ SERPINA2 P20848 1/20 0.34
▸ PIK3R1 P27986 1/20 0.34
▸ FLT4 P35916 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ PIK3CA P42336 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ SYK P43405 1/20 0.34
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ PRKDC P78527 1/20 0.34
▸ MAP3K9 P80192 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
SCHEMBL14829302 0.94 PPARA (0.37) ATRPPARAATMCXCR1JAK2
SCHEMBL30275224 0.94 PPARA (0.37) ATRPPARAATMCXCR1JAK2
SCHEMBL15105510 0.93 PPARA (0.38) ATRPPARAATMCXCR1JAK2
SCHEMBL30275257 0.91 ATR (0.37) ATRPPARAATMCXCR1JAK2
SCHEMBL506684 0.91 ATR (0.37) ATRPPARAATMCXCR1JAK2
SCHEMBL14833165 0.91 PPARA (0.38) ATRPPARAATMCXCR1JAK2
SCHEMBL506966 0.90 ATR (0.36) ATRPPARAATMCXCR1JAK2
SCHEMBL12988040 0.90 PPARA (0.35) ATRPPARAATMCXCR1JAK2
SCHEMBL506085 0.88 NR1H4 (0.37) ATRPPARAATMJAK2ABL1
SCHEMBL506451 0.88 PPARA (0.40) ATRPPARAATMABL1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160030424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-02-04 — — US disclosed
US-20150359797-A1 METHOD FOR TREATING CANCER USING A COMBINATION OF CHK1 AND ATR INHIBITORS VERTEX PHARMACEUTICALS (EUROPE) LIMITED (GB) 2015-12-17 — — US disclosed
US-20140044802-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-02-13 — — US disclosed
US-20130095193-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-04-18 — — 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 (4 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-20130095193-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 ACVR1 818/4885ATR 1/4885PPARA 4158/4885
US-20150359797-A1 METHOD FOR TREATING CANCER USING A COMBINATION OF CHK1 AND ATR INHIBITORS CHEK1, CHEK2, ATR ACVR1 2824/4885ATR 3/4885PPARA 3896/4885
US-20140044802-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF ATR, CHEK1, CHEK2 ACVR1 801/4885ATR 1/4885PPARA 3753/4885
US-20160030424-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE AND COMBINATION THERAPIES THEREOF ATR, CHEK1, CHEK2 ACVR1 801/4885ATR 1/4885PPARA 3753/4885

“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.