SCHEMBL7942445

SCHEMBL7942445

Cc1nc(C(=O)Nc2ccc(F)c(CNc3cccnc3N)c2)c(C)o1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 13/20 0.47
BACE2 Q9Y5Z0 3/20 0.46
HDAC4 P56524 1/20 0.38
MEF2D Q14814 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38
VCP P55072 2/20 0.38
GRM4 Q14833 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL7939661 0.90 DGAT1 (0.44) BACE1BACE2ALDH1A1
SCHEMBL7941823 0.85 BACE1 (0.46) BACE1HDAC4MEF2DAURKAAURKB
SCHEMBL7941932 0.84 NPC1 (0.46) BACE1BACE2AURKAAURKBVCP
SCHEMBL7942222 0.84 BACE1 (0.59) BACE1HDAC4MEF2DAURKAAURKB
SCHEMBL7945490 0.84 PRKCI (0.48) BACE1BACE2VCPGRM4
SCHEMBL7941959 0.84 BACE1 (0.47) BACE1BACE2GRM4
SCHEMBL7941927 0.83 POLB (0.46) BACE1ALDH1A1HSD17B10
SCHEMBL7943391 0.83 MEN1 (0.46) BACE1GRM4
SCHEMBL7933478 0.82 RAB9A (0.53) ALDH1A1HSD17B10
SCHEMBL7945350 0.81 BACE1 (0.47) BACE1BACE2ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2011-09-29 US disclosed
WO-2010047372-A1 2-AMINOPYRIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVE BOTH HAVING BACE1-INHIBITING ACTIVITY 塩野義製薬株式会社 (JP) 2010-04-29 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-20110237576-A1 2-AMINOPYRIMIDIN-4-ONE AND 2-AMINOPYRIDINE DERIVATIVES BOTH HAVING BACE1-INHIBITING ACTIVITY BACE1, APP, BACE2 BACE1 1/4885BACE2 3/4885HDAC4 1953/4885

“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.