SCHEMBL22182995

SCHEMBL22182995

CN(C)C(=O)c1ccc(C(N)=O)cn1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NNMT P40261 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
P4HTM Q9NXG6 2/20 0.44
P4HA1 P13674 1/20 0.44
MIF P14174 1/20 0.44
PIK3CD O00329 1/20 0.44
PIK3CA P42336 1/20 0.44
PIK3CB P42338 1/20 0.44
PI4KA P42356 1/20 0.44
PIK3CG P48736 1/20 0.44
PI4KB Q9UBF8 1/20 0.44
KDM4E B2RXH2 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
MAPK1 P28482 2/20 0.43
GRM5 P41594 1/20 0.41
LRRK2 Q5S007 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL209464 0.84 P4HTM (0.46) SMN1; SMN2P4HTMP4HA1MIFPIK3CD
SCHEMBL211416 0.84 P4HTM (0.66) P4HTMP4HA1MIFKDM4EL3MBTL1
SCHEMBL978974 0.81 NNMT (0.63) NNMTSMN1; SMN2P4HTMP4HA1MIF
SCHEMBL7081537 0.79 NNMT (0.57) NNMTSMN1; SMN2P4HTMP4HA1MIF
SCHEMBL6592083 0.79 MAPK1 (0.72) SMN1; SMN2P4HTMP4HA1MIFKDM4E
SCHEMBL840090 0.79 NNMT (0.45) NNMTSMN1; SMN2P4HTMP4HA1MIF
Hydrochloric Acid SCHEMBL6485765 0.79 NNMT (0.61) NNMTSMN1; SMN2P4HTMP4HA1MIF
Hydrochloric Acid SCHEMBL7702795 0.79 NNMT (0.61) NNMTSMN1; SMN2P4HTMP4HA1MIF
Hydrochloric Acid SCHEMBL22583022 0.78 KMT2A (0.43) NNMTSMN1; SMN2P4HTMP4HA1MIF
SCHEMBL356561 0.78 PIK3CD (0.49) SMN1; SMN2P4HTMP4HA1MIFPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220306588-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS MERCK PATENT GMBH (DE) 2022-09-29 US claimed
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists MERCK PATENT GMBH (DE) 2022-09-27 US claimed
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

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 NNMT 2043/4885SMN1; SMN2 4438/4885P4HTM 3666/4885
US-11453647-B2 Benzimidazole derivatives as adenosine receptor antagonists ADORA1, ADORA2A, ADORA3 NNMT 1362/4885SMN1; SMN2 4217/4885P4HTM 3576/4885
US-20200207720-A1 BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS ADORA1, ADORA2A, ADORA3 NNMT 2043/4885SMN1; SMN2 4438/4885P4HTM 3666/4885

“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.