SCHEMBL4247074

SCHEMBL4247074

NC(=O)c1ccccc1C[CH]C(=O)Nc1ncc[nH]1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.45
TYRO3 Q06418 1/20 0.45
DYRK1B Q9Y463 1/20 0.45
NUDT1 P36639 1/20 0.38
NR3C1 P04150 1/20 0.36
PTGES O14684 8/20 0.35
PARP1 P09874 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
FFAR2 O15552 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33

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
SCHEMBL4243724 0.89 CSNK1A1 (0.39) CSNK1A1TYRO3DYRK1BNUDT1PTGES
SCHEMBL4240718 0.89 CSNK1A1 (0.39) CSNK1A1TYRO3DYRK1BNUDT1PTGES
SCHEMBL4242690 0.84 PTGES (0.39) CSNK1A1TYRO3DYRK1BPTGESFFAR2
SCHEMBL4239784 0.84 FFAR2 (0.43) CSNK1A1TYRO3DYRK1BPTGESKDM4E
SCHEMBL4240809 0.81 PTGES (0.35) CSNK1A1TYRO3DYRK1BNR3C1PTGES
SCHEMBL4239128 0.81 ADRA2A (0.42) PTGESALDH1A1HPGDKMT2ASMN1; SMN2
SCHEMBL4239412 0.79 PTGES (0.41) PTGES
SCHEMBL4236214 0.79 CYP3A4 (0.56) ALDH1A1KMT2ASMN1; SMN2MAPT
SCHEMBL4247766 0.79 GAA (0.48) KDM4EKMT2ASMN1; SMN2
SCHEMBL4242105 0.78 IKBKB (0.38) NR3C1PTGESKDM4EKMT2ASMN1; SMN2

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-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors HIGH POINT PHARMACEUTICALS, LLC 2006-10-05 US claimed
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

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 CSNK1A1 837/4885TYRO3 3651/4885DYRK1B 4348/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP CSNK1A1 837/4885TYRO3 3651/4885DYRK1B 4348/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP CSNK1A1 837/4885TYRO3 3651/4885DYRK1B 4348/4885

“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.