SCHEMBL2279983

SCHEMBL2279983

CC(C)(C)Nc1nc2ccc(B3OC(C)(C)C(C)(C)O3)cc2cc1C=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
LPL P06858 7/20 0.33
LIPG Q9Y5X9 7/20 0.33
SNCA P37840 1/20 0.33
DGAT1 O75907 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
PRMT5 O14744 1/20 0.32
WDR77 Q9BQA1 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
SCHEMBL14322025 0.84 DGAT1 (0.34) EGFRIDO1TDO2LPLLIPG
SCHEMBL14322027 0.84 DGAT1 (0.34) EGFRIDO1TDO2LPLLIPG
SCHEMBL15542344 0.70 LPL (0.42) EGFRIDO1TDO2LPLLIPG
SCHEMBL30836767 0.70 LPL (0.42) EGFRIDO1TDO2LPLLIPG
SCHEMBL12121088 0.70 LPL (0.39) IDO1TDO2LPLLIPGCA12
SCHEMBL25259963 0.69 TYR (0.44) IDO1TDO2LPLLIPGCA12
SCHEMBL14746294 0.69 TDP1 (0.46) EGFRIDO1TDO2LPLLIPG
SCHEMBL16041705 0.69 LPL (0.47) EGFRIDO1TDO2LPLLIPG
SCHEMBL7596931 0.69 LPL (0.41) EGFRIDO1TDO2LPLLIPG
SCHEMBL25958580 0.69 HIF1A (0.40) EGFRLPLLIPGCA12CA1

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
EP-2526092-B1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2014-08-06 EP disclosed
US-8735384-B2 Amino heteroaryl compounds as beta-secretase modulators and methods of use AMGEN INC. (US) 2014-05-27 US disclosed
US-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use AMGEN INC. (US) 2013-02-14 US disclosed
WO-2011090911-A1 AMINO HETEROARYL COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2011-07-28 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-20130040931-A1 Amino Heteroaryl Compounds as Beta-Secretase Modulators and Methods of Use BACE1, BACE2, APH1B EGFR 2761/4885IDO1 2022/4885TDO2 3107/4885

“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.