SCHEMBL2371455

SCHEMBL2371455

O=c1c2cc(I)cnc2oc2ccc(Br)c(F)c12

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 2/20 0.34
IDO1 P14902 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 1/20 0.33
CCNB1 P14635 1/20 0.33
CCND1 P24385 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
TBK1 Q9UHD2 2/20 0.31
GRM5 P41594 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL2371031 0.77 TBK1 (0.35) TET2IDO1TBK1KDM4EALDH1A1
SCHEMBL2370967 0.71 TBK1 (0.44) IDO1TBK1GRM5KDM4EALDH1A1
SCHEMBL29693906 0.71 TBK1 (0.44) IDO1TBK1GRM5KDM4EALDH1A1
SCHEMBL2371396 0.65 ALDH1A1 (0.65) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2383449 0.62 ALDH1A1 (0.42) KDM4EALDH1A1
SCHEMBL2370810 0.61 ACHE (0.36) IDO1TBK1KDM4EALDH1A1MEN1
SCHEMBL2370344 0.60
SCHEMBL12212535 0.60 MAPT (0.52) TBK1KDM4EALDH1A1MEN1KMT2A
SCHEMBL15633375 0.60
SCHEMBL2515750 0.60 NPC1 (0.39) KDM4EALDH1A1MEN1KMT2A

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 TET2 4315/4885IDO1 4343/4885CDK1 1699/4885

“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.