SCHEMBL21622870

SCHEMBL21622870

Clc1ccccc1Nc1ccn2c(c1)nc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 4/20 0.52
KMT2A Q03164 4/20 0.48
ALK Q9UM73 3/20 0.46
NPC1 O15118 4/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GLA P06280 2/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GSK3B P49841 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL21623398 0.80 MAPK8 (0.44) LCKKMT2AALKNPC1MEN1
SCHEMBL21622873 0.80 NPC1 (0.58) LCKKMT2ANPC1MEN1GAA
SCHEMBL29637129 0.80 KDM4E (0.61) LCKKMT2ANPC1MEN1GAA
SCHEMBL21616815 0.80 KDM4E (0.61) LCKKMT2ANPC1MEN1GAA
SCHEMBL21622729 0.79 LCK (0.53) LCKKMT2AALKNPC1MEN1
SCHEMBL21622762 0.75 LCK (0.56) LCKKMT2ANPC1MEN1KDM4E
SCHEMBL18548730 0.72 ALDH1A1 (0.43) LCKKMT2AALKNPC1MEN1
SCHEMBL18934522 0.69 LCK (0.44) LCKKMT2ANPC1MEN1GAA
SCHEMBL18934883 0.69 MAPK10 (0.44) LCKKMT2ANPC1MEN1GAA
SCHEMBL24553487 0.69 PTPN2 (0.51) KMT2AALKNPC1MEN1GAA

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
US-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
EP-3820966-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-06-08 EP disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 US disclosed
WO-2020011686-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-01-16 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-11581497-B2 Materials for organic electroluminescent devices OR10J3, EPCAM, L1CAM LCK 485/4885KMT2A 1833/4885ALK 1054/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM LCK 485/4885KMT2A 1833/4885ALK 1054/4885

“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.