SCHEMBL18015474

SCHEMBL18015474

CC1(C)CC(C)(C)c2c1c(=O)nc1c3ccc(B4OC(C)(C)C(C)(C)O4)cc3ccn21

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.32
CSF1R P07333 1/20 0.31
LPL P06858 2/20 0.31
LIPG Q9Y5X9 2/20 0.31
PRKDC P78527 1/20 0.31

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
SCHEMBL21202813 0.84 PRKDC (0.30) PRKDC
SCHEMBL15840895 0.81 KMT2A (0.34) PRKDC
SCHEMBL21202907 0.78 PRMT5 (0.35) PRMT5WDR77IDO1TDO2
SCHEMBL19801333 0.78 PRMT5 (0.32) PRMT5WDR77IDO1TDO2CSF1R
SCHEMBL18015485 0.78 PRMT5 (0.39) PRMT5WDR77IDO1TDO2IRAK4
SCHEMBL15840934 0.77 PRKDC (0.43) PRKDC
SCHEMBL19794366 0.77 HSD11B1 (0.33) PRMT5WDR77IDO1TDO2
SCHEMBL21202866 0.75 PRMT5 (0.32) PRMT5WDR77IDO1TDO2CSF1R
SCHEMBL18015572 0.73 PRMT5 (0.35) PRMT5WDR77IDO1TDO2IRAK4
SCHEMBL18015543 0.70 JAK2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed
EP-3601304-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-10-27 EP disclosed
US-11024815-B2 Metal complexes MERCK PATENT GMBH (DE) 2021-06-01 US disclosed
WO-2019158453-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2019-08-22 WO 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 PRMT5 2407/4885WDR77 4839/4885IDO1 1516/4885
US-20180026209-A1 Metal Complexes AP3M1, AP2M1, SOD1 PRMT5 2362/4885WDR77 4594/4885IDO1 1884/4885

“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.