SCHEMBL4248488

SCHEMBL4248488

NC(=O)c1nc2cc(-c3ccccc3)cc(C(=O)Nc3ncc[nH]3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 2/20 0.42
CHUK O15111 2/20 0.42
HPGDS O60760 1/20 0.37
P2RY14 Q15391 1/20 0.36
PRKCI P41743 1/20 0.36
PTGES O14684 7/20 0.36
CHEK2 O96017 2/20 0.35
CSF1R P07333 1/20 0.35
KDM4A O75164 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
FAAH O00519 1/20 0.34
CSNK1A1 P48729 1/20 0.34
TYRO3 Q06418 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
IKBKE Q14164 1/20 0.34
PKMYT1 Q99640 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 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
SCHEMBL4248492 0.88 PRKCI (0.39) IKBKBCHUKHPGDSPRKCIPTGES
SCHEMBL4239799 0.85 NAMPT (0.38) HPGDSPTGES
SCHEMBL4242575 0.84 FAAH (0.41) HPGDSPTGESCHEK2FAAH
SCHEMBL4243786 0.83 PTGES (0.40) HPGDSPTGESMEN1NPC1RAB9A
SCHEMBL4247703 0.83 ALDH1A1 (0.41) PTGESNPC1RAB9A
SCHEMBL4238104 0.83 NPC1 (0.40) HPGDSPTGESCSNK1A1TYRO3DYRK1B
SCHEMBL4239803 0.82 CHEK2 (0.39) CHEK2
SCHEMBL4242362 0.81 PLAU (0.43) NPC1RAB9A
SCHEMBL4247272 0.80 PTGES (0.41) HPGDSP2RY14PTGES
SCHEMBL4234884 0.80 HPGDS (0.51) HPGDSPTGESMEN1NPC1RAB9A

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 IKBKB 1624/4885CHUK 650/4885HPGDS 2231/4885
US-20060223849-A1 Benzazole derivatives, compositions, and methods of use as beta-secretase inhibitors BACE1, BACE2, APP IKBKB 1624/4885CHUK 650/4885HPGDS 2231/4885
US-20140066477-A1 Benzazole Derivatives, Compositions, and Methods of Use as Beta-Secretase Inhibitors BACE1, BACE2, APP IKBKB 1624/4885CHUK 650/4885HPGDS 2231/4885

“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.