SCHEMBL2371031

SCHEMBL2371031

O=c1c2cc(Br)c(F)cc2oc2ncc(I)cc12

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.35
IKBKE Q14164 2/20 0.35
TET2 Q6N021 2/20 0.35
ACHE P22303 3/20 0.34
BACE1 P56817 2/20 0.34
IDO1 P14902 1/20 0.34
BCHE P06276 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL2370810 0.84 ACHE (0.36) TBK1IKBKEACHEBACE1IDO1
SCHEMBL2371455 0.77 TET2 (0.34) TBK1TET2IDO1KDM4EALDH1A1
SCHEMBL2370967 0.72 TBK1 (0.44) TBK1IDO1KDM4EALDH1A1MEN1
SCHEMBL2371223 0.72 TDO2 (0.38) ACHEBACE1
SCHEMBL29693906 0.72 TBK1 (0.44) TBK1IDO1KDM4EALDH1A1MEN1
SCHEMBL12468860 0.71 NPC1 (0.41) ACHEBACE1BCHEKDM4EALDH1A1
SCHEMBL19181427 0.63 TBK1 (0.77) TBK1IKBKEKDM4E
SCHEMBL2515750 0.63 NPC1 (0.39) ACHEBACE1BCHEKDM4EALDH1A1
SCHEMBL2371020 0.63 ALDH1A1 (0.69) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2370815 0.63 NPC1 (0.45) ACHEBACE1KDM4EALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8883782-B2 Spiro-tetracyclic ring compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-11-11 US disclosed
EP-2547685-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS Amgen Inc. (US) 2013-01-23 EP disclosed
US-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
WO-2011115938-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA - SECRETASE MODULATORS AMGEN INC. (US) 2011-09-22 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-20110251190-A1 SPIRO-TETRACYCLIC RING COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP TBK1 2235/4885IKBKE 894/4885TET2 4315/4885

“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.