SCHEMBL23076324

SCHEMBL23076324

O=c1nc(-c2ccccc2)nc2ccc(-c3cc4c5ccccc5n5c6ccccc6c(c3)c45)cn12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ ALDH1A1 P00352 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ RET P07949 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ FGFR1 P11362 1/20 0.32
▸ FLT1 P17948 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ ALK Q9UM73 1/20 0.32
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 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
SCHEMBL23075955 0.82 RET (0.43) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL23075992 0.81 RET (0.46) ALDH1A1RETPIM1FGFR1FLT1
SCHEMBL23076424 0.81 PRMT5 (0.35) KDM4EALDH1A1POLBRETPIM1
SCHEMBL17690672 0.79 MEN1 (0.41) KDM4ETSHRHSD17B10ALDH1A1MEN1
SCHEMBL17690681 0.79 MEN1 (0.41) KDM4ETSHRHSD17B10ALDH1A1MEN1
SCHEMBL23076199 0.77 TSPO (0.35) KDM4EMEN1MAPTKMT2A
SCHEMBL16621688 0.77 MEN1 (0.39) KDM4ETSHRHSD17B10ALDH1A1MEN1
SCHEMBL11926474 0.77 L3MBTL1 (0.41) KDM4ETSHRHSD17B10ALDH1A1MEN1
SCHEMBL23076044 0.76 KDM4E (0.39) KDM4ETSHRALDH1A1MEN1MAPT
SCHEMBL29507013 0.76 KDM4E (0.39) KDM4ETSHRALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-09-29 — — US disclosed
WO-2021043703-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-03-11 — — 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 (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-20220310932-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM KDM4E 1889/4885TSHR 4757/4885HSD17B10 3319/4885

“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.

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