SCHEMBL20765130

SCHEMBL20765130

COc1ccc(-c2cnn(C)c2)c(N)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.45
AAK1 Q2M2I8 1/20 0.45
LOXL2 Q9Y4K0 2/20 0.43
LRRK2 Q5S007 2/20 0.43
ERN1 O75460 1/20 0.41
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
FYN P06241 1/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CG P48736 1/20 0.41
LCK P06239 1/20 0.40
BTK Q06187 1/20 0.40
BRD4 O60885 1/20 0.40
FGFR1 P11362 2/20 0.39
FGFR2 P21802 2/20 0.39
FGFR3 P22607 2/20 0.39
CSF1R P07333 1/20 0.39
TTK P33981 1/20 0.39
ALOX5AP P20292 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
SCHEMBL30609169 1.00 PLAU (0.45) PLAUAAK1LOXL2LRRK2ERN1
SCHEMBL20765693 0.84 PLAU (0.38) PLAUAAK1LOXL2LRRK2PIK3CD
SCHEMBL512461 0.80 AAK1 (0.52) PLAUAAK1LOXL2LRRK2ERN1
SCHEMBL29877325 0.80 AAK1 (0.52) PLAUAAK1LOXL2LRRK2ERN1
SCHEMBL24732301 0.79 LOXL2 (0.49) PLAUAAK1LOXL2LRRK2ERN1
SCHEMBL22650180 0.76 PLAU (0.45) PLAUAAK1LOXL2LRRK2FYN
SCHEMBL7915834 0.76 BRD4 (0.50) AAK1ERN1SMARCA2SMARCA4FYN
SCHEMBL20795058 0.76 PLAU (0.41) PLAUAAK1LOXL2LRRK2BTK
SCHEMBL20764981 0.76 PLAU (0.41) PLAUAAK1LOXL2LRRK2LCK
SCHEMBL21596949 0.76 USP30 (0.39) PLAUAAK1LOXL2LRRK2ERN1

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 11 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
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

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-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 PLAU 4186/4885AAK1 582/4885LOXL2 4259/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 PLAU 3775/4885AAK1 919/4885LOXL2 3882/4885
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 PLAU 4186/4885AAK1 582/4885LOXL2 4259/4885

“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.