SCHEMBL2497019

SCHEMBL2497019

COc1ccc(Br)c(N)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.48
NPSR1 Q6W5P4 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 1/20 0.46
ERN1 O75460 1/20 0.46
NQO2 P16083 2/20 0.41
ALDH1A1 P00352 5/20 0.40
KDM4E B2RXH2 2/20 0.40
THRB P10828 2/20 0.40
GAA P10253 2/20 0.40
CYP3A4 P08684 1/20 0.40
NPC1 O15118 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
ATM Q13315 1/20 0.40
ADRA2B P18089 1/20 0.39
PTGS1 P23219 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 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
SCHEMBL1710455 0.84 ALDH1A1 (0.50) MAPTNPSR1L3MBTL1ALDH1A1KDM4E
SCHEMBL1014275 0.84 ALDH1A1 (0.50) MAPTNPSR1L3MBTL1ALDH1A1KDM4E
SCHEMBL19729185 0.84 MAPT (0.57) MAPTNPSR1L3MBTL1POLBERN1
SCHEMBL2304630 0.82 MAPT (0.45) MAPTNPSR1L3MBTL1POLBERN1
SCHEMBL2112642 0.82 MAPT (0.45) MAPTNPSR1L3MBTL1POLBERN1
SCHEMBL29869611 0.82 MAPT (0.45) MAPTNPSR1L3MBTL1POLBERN1
SCHEMBL4468655 0.80 ERN1 (0.50) MAPTNPSR1L3MBTL1POLBERN1
SCHEMBL31180311 0.80 MAPT (0.44) MAPTNPSR1L3MBTL1POLBERN1
SCHEMBL18614392 0.80 MAPT (0.44) MAPTNPSR1L3MBTL1POLBERN1
SCHEMBL31180314 0.80 MAPT (0.44) MAPTNPSR1L3MBTL1POLBERN1

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
CN-110997662-B Benzimidazole derivatives as adenosine receptor antagonists 默克专利股份公司 2023-10-31 CN disclosed
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
EP-3672952-B1 BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-12-14 EP disclosed
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US disclosed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US disclosed
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2020-07-02 US disclosed
EP-3672952-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS Merck Patent GmbH (DE) 2020-07-01 EP disclosed
CN-110997662-A Benzimidazole derivatives as adenosine receptor antagonists 默克专利股份公司 2020-04-10 CN disclosed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO disclosed
WO-2019038215-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2019-02-28 WO disclosed
US-8030497-B2 Benzimidazole derivatives NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030497-B2 Benzimidazole derivatives NOVARTIS AG (CH) 2011-10-04 US disclosed
US-8030497-B2 Benzimidazole derivatives NOVARTIS AG (CH) 2011-10-04 US disclosed
US-20090170921-A1 Benzimidazole derivatives NOVARTIS AG (CH) 2009-07-02 US disclosed
US-20090170921-A1 Benzimidazole derivatives NOVARTIS AG (CH) 2009-07-02 US disclosed
US-20090170921-A1 Benzimidazole derivatives NOVARTIS AG (CH) 2009-07-02 US disclosed
EP-1709006-A1 BENZIMIDAZOLE DERIVATIVES Novartis AG (CH) 2006-10-11 EP disclosed
WO-2005068433-A9 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-09-15 WO disclosed
WO-2005068433-A1 BENZIMIDAZOLE DERIVATIVES NOVARTIS AG (CH) 2005-07-28 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 (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-20090170921-A1 Benzimidazole derivatives CYP3A7, UGT2B7, CYP2B6 MAPT 3722/4885NPSR1 1289/4885L3MBTL1 958/4885
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 MAPT 4768/4885NPSR1 2325/4885L3MBTL1 3610/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 MAPT 4825/4885NPSR1 2461/4885L3MBTL1 3645/4885
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 MAPT 4768/4885NPSR1 2325/4885L3MBTL1 3610/4885

“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.