SCHEMBL557770

SCHEMBL557770

CS(=O)(=O)c1ccc(-c2cnc(N)c(Br)n2)cc1

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.59
ATR Q13535 19/20 0.54
PRKDC P78527 5/20 0.54
ATM Q13315 4/20 0.54

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
SCHEMBL557518 0.84 ATR (0.58) KCNH2ATRPRKDCATM
SCHEMBL15308507 0.83 KCNH2 (0.60) KCNH2ATRPRKDCATM
SCHEMBL17657838 0.82 KCNH2 (0.59) KCNH2ATRPRKDCATM
SCHEMBL12078250 0.81 KCNH2 (0.45) KCNH2ATRPRKDCATM
SCHEMBL17718278 0.79 KCNH2 (0.60) KCNH2ATRPRKDCATM
SCHEMBL12198422 0.79 ATR (0.48) ATR
SCHEMBL30977050 0.78 ATR (0.70) KCNH2ATRPRKDCATM
SCHEMBL16425220 0.78 KCNH2 (0.69) KCNH2ATRPRKDCATM
SCHEMBL2486014 0.78 ATR (0.70) KCNH2ATRPRKDCATM
SCHEMBL12077358 0.78 KCNH2 (0.51) KCNH2ATRPRKDCATM

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 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2814820-B1 ANTI-MALARIAL AGENTS UNIV CAPE TOWN (ZA) 2016-07-20 EP claimed
EP-2814820-A1 ANTI -MALARIAL AGENTS University Of Cape Town (ZA) 2014-12-24 EP claimed
WO-2013121387-A1 ANTI -MALARIAL AGENTS UNIVERSITY OF CAPE TOWN (ZA) 2013-08-22 WO claimed
EP-2814820-B1 ANTI-MALARIAL AGENTS UNIV CAPE TOWN (ZA) 2016-07-20 EP disclosed
EP-2814820-B1 ANTI-MALARIAL AGENTS UNIV CAPE TOWN (ZA) 2016-07-20 EP disclosed
US-9266842-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-02-23 US disclosed
US-9266842-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-02-23 US disclosed
US-9266842-B2 Anti-malarial agents MMV MEDICINES FOR MALARIA VENTURE (CH) 2016-02-23 US disclosed
US-9062008-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-23 US disclosed
US-9062008-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-23 US disclosed
US-9062008-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-23 US disclosed
EP-2569286-B1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMA (US) 2014-08-20 EP disclosed
WO-2013121387-A1 ANTI -MALARIAL AGENTS UNIVERSITY OF CAPE TOWN (ZA) 2013-08-22 WO disclosed
WO-2013121387-A1 ANTI -MALARIAL AGENTS UNIVERSITY OF CAPE TOWN (ZA) 2013-08-22 WO disclosed
EP-2569286-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE Vertex Pharmaceuticals Incorporated (US) 2013-03-20 EP disclosed
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 US disclosed
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 US disclosed
US-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-09 US disclosed
WO-2011143423-A2 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
WO-2011143423-A2 COMPOUNDS 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 (1 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-20120035408-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 KCNH2 2655/4885ATR 1/4885PRKDC 29/4885

“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.