SCHEMBL18015264

SCHEMBL18015264

Cc1cc(=O)n2ccc(B3OC(C)(C)C(C)(C)O3)cc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.56
ALDH1A1 P00352 6/20 0.56
IRAK4 Q9NWZ3 1/20 0.41
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
LMNA P02545 3/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
MPI P34949 1/20 0.36
PSD A5PKW4 1/20 0.35
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
HPGD P15428 3/20 0.35
HSD17B10 Q99714 3/20 0.35
JAK2 O60674 3/20 0.34
BTK Q06187 3/20 0.34
CSF1R P07333 2/20 0.34
CHEK1 O14757 1/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34

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
SCHEMBL23414643 0.82 ALDH1A1 (0.36) KDM4EALDH1A1IRAK4IDO1TDO2
SCHEMBL20619971 0.82 IRAK4 (0.43) KDM4EALDH1A1IRAK4IDO1TDO2
SCHEMBL18015439 0.81 LPL (0.43) KDM4EALDH1A1IRAK4PRMT5WDR77
SCHEMBL18015432 0.80 GRM5 (0.44) KDM4EALDH1A1IRAK4IDO1TDO2
SCHEMBL20600624 0.76 IRAK4 (0.41) KDM4EALDH1A1IRAK4IDO1TDO2
SCHEMBL10225289 0.75 LIPG (0.46) KDM4EALDH1A1IRAK4IDO1TDO2
SCHEMBL18015266 0.74 KDM4E (0.51) KDM4EALDH1A1IRAK4IDO1TDO2
SCHEMBL20620665 0.74 IRAK4 (0.36) IRAK4IDO1TDO2LPLLIPG
SCHEMBL31418525 0.73 IRAK4 (0.38) KDM4EALDH1A1IRAK4IDO1TDO2
SCHEMBL30973836 0.73 IRAK4 (0.41) KDM4EALDH1A1IRAK4IDO1TDO2

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
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
EP-3254317-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-07-31 EP disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
US-20180026209-A1 Metal Complexes MERCK PATENT GMBH (DE) 2018-01-25 US disclosed
WO-2016124304-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2016-08-11 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 (2 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-11024815-B2 Metal complexes EXOC4, EXOC3, TIMCC KDM4E 3894/4885ALDH1A1 2742/4885IRAK4 4239/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 KDM4E 3864/4885ALDH1A1 2597/4885IRAK4 4572/4885

“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.