SCHEMBL4237754

SCHEMBL4237754

CCS(=O)(=O)Nc1ccc2nc(N)[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 3/20 0.54
GRIN2B Q13224 3/20 0.54
IDO1 P14902 1/20 0.49
PLAU P00749 1/20 0.46
HTR3E A5X5Y0 1/20 0.46
HTR3B O95264 1/20 0.46
HTR3A P46098 1/20 0.46
BACE1 P56817 1/20 0.46
HTR3D Q70Z44 1/20 0.46
HTR3C Q8WXA8 1/20 0.46
PLK4 O00444 1/20 0.46
DAPK3 O43293 1/20 0.46
DYRK3 O43781 1/20 0.46
JAK2 O60674 1/20 0.46
ROCK2 O75116 1/20 0.46
MAP4K4 O95819 1/20 0.46
CDK1 P06493 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
MARK3 P27448 1/20 0.46

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
SCHEMBL4242332 0.91 GRIN1 (0.56) GRIN1GRIN2BIDO1PLAUHTR3E
SCHEMBL4235689 0.82 GRIN1 (0.54) GRIN1GRIN2BIDO1PLAUHTR3E
SCHEMBL4237749 0.81 GRIN1 (0.50) GRIN1GRIN2BPLK4DAPK3DYRK3
SCHEMBL13996567 0.79 PLAU (0.51) IDO1PLAUHTR3EHTR3BHTR3A
SCHEMBL19216416 0.77 PLAU (0.56) IDO1PLAUHTR3EHTR3BHTR3A
SCHEMBL13994001 0.76 PLAU (0.51) IDO1PLAUHTR3EHTR3BHTR3A
SCHEMBL4246308 0.74 SMN1; SMN2 (0.59) GRIN1GRIN2BIDO1ALDH1A1HSPD1
SCHEMBL4239810 0.74 PRKD3 (0.47) GRIN1GRIN2BIDO1PLK4DAPK3
SCHEMBL10967002 0.74 ALDH1A1 (0.61) GRIN1GRIN2BPLAUALDH1A1TDP1
SCHEMBL4242330 0.73 GRIN1 (0.53) GRIN1GRIN2BPLK4DAPK3DYRK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946259-B2 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2015-02-03 US disclosed
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2014-03-06 US disclosed
US-8598353-B2 Benzazole derivatives, compositions, and methods of use as β-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC (US) 2013-12-03 US disclosed
EP-2457901-A1 Benzazole derivatives, compositions, and methods of use as B-secretase inhibitors High Point Pharmaceuticals, LLC (US) 2012-05-30 EP disclosed
US-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors VTVX HOLDINGS II LLC 2009-12-31 US disclosed
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 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-20090326006-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP GRIN1 1312/4885GRIN2B 1210/4885IDO1 1844/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP GRIN1 1312/4885GRIN2B 1210/4885IDO1 1844/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP GRIN1 1312/4885GRIN2B 1210/4885IDO1 1844/4885

“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.