SCHEMBL3707400

SCHEMBL3707400

COc1nc(N)ccc1-c1cnn(C(=O)O)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.34
PIK3CA P42336 2/20 0.33
GABRP O00591 3/20 0.33
GABRD O14764 3/20 0.33
GABRA1 P14867 3/20 0.33
GABRB1 P18505 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
GABRB2 P47870 3/20 0.33
GABRA4 P48169 3/20 0.33
GABRE P78334 3/20 0.33
GABRA6 Q16445 3/20 0.33
GABRG1 Q8N1C3 3/20 0.33
GABRG3 Q99928 3/20 0.33
GABRQ Q9UN88 3/20 0.33
GRM2 Q14416 2/20 0.32
MAP4K4 O95819 1/20 0.32

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
SCHEMBL3705523 0.84 ROCK2 (0.44) PIK3CA
SCHEMBL3702267 0.79 LRRK2 (0.42) BTKPIK3CAGRM2MAP4K4AAK1
SCHEMBL21275444 0.70 MKNK1 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28713751 0.70 MAPKAPK2 (0.53) MAP4K4MAPKAPK2
SCHEMBL3706777 0.69 BRD4 (0.43)
SCHEMBL15995733 0.68 SLC2A1 (0.47) TDP1
SCHEMBL17394741 0.67 ALDH1A1 (0.39) BTKMAP4K4MAPKAPK2TDP1ALOX15
SCHEMBL22119718 0.66 QDPR (0.38) TDP1ALOX15
SCHEMBL15476493 0.65 FFAR1 (0.41) ERN1HSD17B10
SCHEMBL2636867 0.65 L3MBTL1 (0.46) PLAU

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
WO-2012064269-A1 COMPOUNDS AND THEIR USE FOR TREATMENT OF Αβ-RELATED DISEASES ASTRAZENECA AB (SE) 2012-05-18 WO disclosed
US-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases ASTRAZENECA AB (SE) 2012-05-17 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 (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-20120122843-A1 Compounds and Their Use for Treatment of Amyloid Beta-Related Diseases APP, BACE1, PSEN1 BTK 2780/4885PIK3CA 3587/4885GABRP 1248/4885

“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.