SCHEMBL21742891

SCHEMBL21742891

Brc1cccc2c1c1ccc(-c3ccc4c5ccccc5n(-c5ccccc5)c4c3)cc1n2-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ATM Q13315 1/20 0.51
HDAC4 P56524 1/20 0.37
KMT2A Q03164 4/20 0.35
IL1R1 P14778 1/20 0.35
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 3/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
BRCA1 P38398 1/20 0.33
HSD17B10 Q99714 1/20 0.33
RXFP1 Q9HBX9 2/20 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
SCHEMBL20071411 0.94 L3MBTL1 (0.49) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL22092432 0.93 ATM (0.41) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL16665972 0.89 L3MBTL1 (0.51) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL3049158 0.88 L3MBTL1 (0.61) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL29446458 0.88 L3MBTL1 (0.61) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL31384383 0.88 L3MBTL1 (0.61) L3MBTL1KDM4EATMKMT2AIL1R1
SCHEMBL16997299 0.87 L3MBTL1 (0.46) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL19501095 0.86 L3MBTL1 (0.60) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL16905810 0.85 ATM (0.46) L3MBTL1KDM4EATMHDAC4KMT2A
SCHEMBL19501096 0.85 L3MBTL1 (0.55) L3MBTL1KDM4EATMHDAC4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-02-20 US 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-20200055822-A1 MATERIALS FOR ORGANIC ELECTRONIC DEVICES PNMT, DDT, TYR L3MBTL1 2878/4885KDM4E 3201/4885ATM 1504/4885

“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.