Sugi Predict

Sugi Predict / Compounds / SCHEMBL2635877

SCHEMBL2635877

SCHEMBL2635877

N#CC(=NOC(=O)O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G7 Q13093 3/20 0.58
▸ MAPT P10636 4/20 0.47
▸ POLB P06746 2/20 0.40
▸ TSHR P16473 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ RAB9A P51151 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ F2 P00734 1/20 0.38
▸ XBP1 P17861 1/20 0.38

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
SCHEMBL25377189 1.00 PLA2G7 (0.58) PLA2G7MAPTPOLBTSHRCYP2C19
SCHEMBL2635878 0.89 PLA2G7 (0.58) PLA2G7MAPTPOLBTSHRCYP2C19
SCHEMBL2635874 0.89 PLA2G7 (0.58) PLA2G7MAPTPOLBTSHRCYP2C19
SCHEMBL25377184 0.89 PLA2G7 (0.58) PLA2G7MAPTPOLBTSHRCYP2C19
SCHEMBL92087 0.87 PLA2G7 (0.57) PLA2G7MAPTALDH1A1RAB9ALMNA
SCHEMBL11320055 0.86 PLA2G7 (0.56) PLA2G7MAPTPOLBTSHRCYP2C19
SCHEMBL11320042 0.86 PLA2G7 (0.56) PLA2G7MAPTPOLBTSHRCYP2C19
SCHEMBL13979939 0.86 PLA2G7 (0.56) PLA2G7MAPTPOLBTSHRCYP2C19
SCHEMBL6125192 0.86 PLA2G7 (0.56) PLA2G7MAPTPOLBTSHRCYP2C19
SCHEMBL2910188 0.82 PLA2G7 (0.52) PLA2G7MAPTPOLBTSHRHSD17B10

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-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-01-14 — — US disclosed
US-20140288347-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-25 — — US disclosed
EP-2585468-A1 PYRROLO- PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-05-01 — — EP disclosed
EP-2569313-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 — — EP disclosed
WO-2011163527-A1 PYRROLO- PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-29 — — WO disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 — — WO disclosed
EP-0094886-B1 AMINOALKADIENE DERIVATIVE MERRELL TORAUDE ET COMPAGNIE (FR) 1985-07-10 — — EP 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-20140288347-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 PLA2G7 1557/4885MAPT 2919/4885POLB 632/4885
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 PLA2G7 1557/4885MAPT 2919/4885POLB 632/4885

“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.