SCHEMBL3483608

SCHEMBL3483608

Cc1cc(Cl)c2sccc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
PDPK1 O15530 1/20 0.38
CYP2A6 P11509 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM1 P11229 1/20 0.32
ALOX15 P16050 1/20 0.32
MAOA P21397 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2B P41595 1/20 0.32
MAPT P10636 1/20 0.31
TSHR P16473 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
NEK1 Q96PY6 2/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30

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
SCHEMBL10256654 0.75 DYRK1A (0.44) DYRK1APDPK1CYP2A6CYP3A4MAPT
SCHEMBL28901739 0.73 DYRK1A (0.43) DYRK1APDPK1
SCHEMBL12980273 0.72 DYRK1A (0.37) DYRK1AMAPTTSHR
SCHEMBL18876005 0.71 DYRK1A (0.40) DYRK1APDPK1CYP2A6CYP3A4MAPT
SCHEMBL29945213 0.69 DYRK1A (0.50) DYRK1APDPK1CYP2A6
SCHEMBL726779 0.67 MAPT (0.35) DYRK1ACYP2A6MAPTTSHR
SCHEMBL18876006 0.67 CYP2A6 (0.42) CYP2A6MAPT
SCHEMBL29720333 0.66 CYP2A6 (0.48) CYP2A6CYP3A4CHRM1ALOX15MAOA
SCHEMBL5488191 0.66 CYP2A6 (0.48) CYP2A6CYP3A4CHRM1ALOX15MAOA
SCHEMBL806483 0.65 PDPK1 (0.39) DYRK1APDPK1CYP2A6MAPT

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-2049200-B1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC (CA) 2015-04-29 EP disclosed
US-8440643-B2 Inhibitors of beta-lactamase METHYLGENE INC. (CA) 2013-05-14 US disclosed
US-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE METHYLGENE INC. 2010-11-04 US disclosed
EP-2049200-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MethylGene Inc. (CA) 2009-04-22 EP disclosed
WO-2008073142-A2 NOVEL INHIBITORS OF BETA-LACTAMASE MERCK & CO., INC. (US) 2008-06-19 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 (1 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-20100279983-A1 NOVEL INHIBITORS OF BETA-LACTAMASE MGAM, MGAM2, PGLS DYRK1A 3468/4885PDPK1 875/4885CYP2A6 944/4885

“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.