SCHEMBL751443

SCHEMBL751443

CCOC(=O)c1nccnc1CBr

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.47
MAPT P10636 2/20 0.44
TSHR P16473 1/20 0.43
KDM4E B2RXH2 3/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CDC7 O00311 1/20 0.40
DBF4 Q9UBU7 1/20 0.40
HSP90AA1 P07900 1/20 0.40
NUDT1 P36639 1/20 0.40
CYP1A2 P05177 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL21843252 0.83 BRD4 (0.56) BRD4MAPTTSHRKDM4EALOX15
SCHEMBL749664 0.82 L3MBTL1 (0.44) MAPTKDM4EL3MBTL1CYP4F2CYP4A11
SCHEMBL28226937 0.79 BRD4 (0.49) BRD4MAPTTSHRKDM4EALOX15
SCHEMBL26081236 0.78 BRD4 (0.51) BRD4MAPTTSHRKDM4EALOX15
SCHEMBL750492 0.78 BRD4 (0.51) BRD4MAPTTSHRKDM4EALOX15
SCHEMBL1542171 0.77 TSHR (0.58) BRD4MAPTTSHRL3MBTL1CYP4F2
SCHEMBL29570791 0.77 TSHR (0.58) BRD4MAPTTSHRL3MBTL1CYP4F2
SCHEMBL14398367 0.77 KDM4E (0.60) BRD4MAPTTSHRKDM4EALOX15
SCHEMBL159285 0.77 BRD4 (0.50) BRD4MAPTTSHRKDM4EALOX15
SCHEMBL3369457 0.76 BRD4 (0.57) BRD4MAPTTSHRKDM4ECYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2655380-A1 SUBSTITUTED PYRAZINES HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2013-10-30 EP disclosed
US-8569301-B2 6, 6-dioxo-6-thia-1, 4-diaza-naphthalenes as herbicides SYNGENTA LIMITED (GB) 2013-10-29 US disclosed
US-8569301-B2 6, 6-dioxo-6-thia-1, 4-diaza-naphthalenes as herbicides SYNGENTA LIMITED (GB) 2013-10-29 US disclosed
US-8569301-B2 6, 6-dioxo-6-thia-1, 4-diaza-naphthalenes as herbicides SYNGENTA LIMITED (GB) 2013-10-29 US disclosed
US-20130274109-A1 Substituted Pyrazines Having Herbicidal Activity BASF SE (DE) 2013-10-17 US disclosed
US-20130274109-A1 Substituted Pyrazines Having Herbicidal Activity BASF SE (DE) 2013-10-17 US disclosed
US-20130274109-A1 Substituted Pyrazines Having Herbicidal Activity BASF SE (DE) 2013-10-17 US disclosed
EP-2430028-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2013-08-28 EP disclosed
EP-2430028-B1 HERBICIDAL COMPOUNDS SYNGENTA LTD (GB) 2013-08-28 EP disclosed
WO-2012085265-A1 SUBSTITUTED PYRAZINES HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2012-06-28 WO disclosed
WO-2012085265-A1 SUBSTITUTED PYRAZINES HAVING HERBICIDAL ACTIVITY BASF SE (DE) 2012-06-28 WO disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
US-20120115726-A1 HERBICIDAL COMPOUNDS SYNGENTA CROP PROTECTION LLC (US) 2012-05-10 US disclosed
EP-2430028-A1 HERBICIDAL COMPOUNDS Syngenta Limited (GB) 2012-03-21 EP disclosed
WO-2010130970-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-11-18 WO disclosed
WO-2010130970-A1 HERBICIDAL COMPOUNDS SYNGENTA LIMITED (GB) 2010-11-18 WO disclosed
WO-2005100334-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS PFIZER PRODUCTS INC. (US) 2005-10-27 WO disclosed
US-20050234065-A1 Dipeptidyl peptidase-IV inhibitors PFIZER INC 2005-10-20 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 (3 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-20050234065-A1 Dipeptidyl peptidase-IV inhibitors ALPI, DPP4, SI BRD4 4559/4885MAPT 2826/4885TSHR 326/4885
US-20130274109-A1 Substituted Pyrazines Having Herbicidal Activity DDT, CAT, CYP4Z1 BRD4 3510/4885MAPT 4167/4885TSHR 2324/4885
US-20120115726-A1 HERBICIDAL COMPOUNDS DDT, NAT1, DDAH1 BRD4 2795/4885MAPT 4501/4885TSHR 279/4885

“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.