SCHEMBL963443

SCHEMBL963443

COc1cc(N)cc(F)c1-n1cnc(C)n1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.35
JUN P05412 1/20 0.35
MAPK10 P53779 1/20 0.35
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
NR4A1 P22736 1/20 0.32
ABL1 P00519 1/20 0.32
EGFR P00533 1/20 0.32
HCK P08631 1/20 0.32
SRC P12931 1/20 0.32
KDR P35968 1/20 0.32
PIK3CB P42338 1/20 0.32
MTOR P42345 1/20 0.32
PIK3CG P48736 1/20 0.32
EPHB4 P54760 1/20 0.32
PRKDC P78527 1/20 0.32
PI4KB Q9UBF8 1/20 0.32
PSEN1 P49768 7/20 0.32
PSEN2 P49810 7/20 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
SCHEMBL961665 0.86 ALOX5AP (0.30)
SCHEMBL966778 0.78 LMNA (0.38) MAPTALDH1A1LMNA
SCHEMBL966728 0.77 JUN (0.35) JUNMAPK10GAAMAPTPSEN1
SCHEMBL12918204 0.76 HTR3E (0.33) JUNMAPK10
Iodide SCHEMBL963646 0.75 NOS3 (0.32) JUNMAPK10
SCHEMBL2257147 0.74 NR2E1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL513196 0.74 PSEN1 (0.37) KITJUNMAPK10PSEN1PSEN2
SCHEMBL29637044 0.74 NR4A1 (0.54) KDM4EGAAMAPTNR4A1PSEN1
SCHEMBL511425 0.74 NR4A1 (0.54) KDM4EGAAMAPTNR4A1PSEN1
SCHEMBL961808 0.73 PSEN1 (0.34) JUNMAPK10PSEN1PSEN2APH1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 KIT 4686/4885JUN 2664/4885MAPK10 2811/4885

“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.