SCHEMBL18155085

SCHEMBL18155085

CC(C)(O)C(C)(C)OB(O)c1ccnc2c1ccn2S(=O)(=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.44
PIK3C3 Q8NEB9 3/20 0.40
HTR6 P50406 11/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MET P08581 1/20 0.36
ENPP3 O14638 1/20 0.35
ENPP1 P22413 1/20 0.35
PKM P14618 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34

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
SCHEMBL21456788 0.87 CYP2C19 (0.49) CYP2C19PIK3C3HTR6L3MBTL1MET
SCHEMBL29952621 0.83 CYP2C19 (0.55) CYP2C19PIK3C3HTR6L3MBTL1MET
SCHEMBL781277 0.75 MEN1 (0.49) HTR6HTR1ADRD2
SCHEMBL12272025 0.73 L3MBTL1 (0.56) CYP2C19HTR6L3MBTL1PKM
SCHEMBL29959107 0.72 CYP2C19 (0.58) CYP2C19HTR6L3MBTL1METENPP3
SCHEMBL1672537 0.72 CYP2C19 (0.58) CYP2C19HTR6L3MBTL1METPKM
SCHEMBL414843 0.72 CYP2C19 (0.58) CYP2C19HTR6L3MBTL1METENPP3
SCHEMBL2086330 0.71 HTR6 (0.61) CYP2C19PIK3C3HTR6L3MBTL1MET
SCHEMBL16010409 0.71 NCF1 (0.37) CYP2C19HTR1A
SCHEMBL21886201 0.70 L3MBTL1 (0.46) HTR6L3MBTL1PKM

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
EP-3283475-B1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2019-10-16 EP disclosed
US-10179777-B2 3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one derivatives MERCK PATENT GMBH (DE) 2019-01-15 US disclosed
US-20180099947-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2018-04-12 US disclosed
EP-3283475-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES Merck Patent GmbH (DE) 2018-02-21 EP disclosed
WO-2016165808-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES MERCK PATENT GMBH (DE) 2016-10-20 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 (2 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-10179777-B2 3-(1H-benzimidazol-2-yl)-1H-pyridin-2-one derivatives ALK, ABL2, ACVR1 CYP2C19 2699/4885PIK3C3 2641/4885HTR6 3915/4885
US-20180099947-A1 3-(1H-BENZIMIDAZOL-2-YL)-1H-PYRIDIN-2-ONE DERIVATIVES ALK, ABL2, ACVR1 CYP2C19 2699/4885PIK3C3 2641/4885HTR6 3915/4885

“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.