SCHEMBL23917073

SCHEMBL23917073

c1ccc(-c2nc(-n3c4ccccc4c4ccc5c(nc6ccccn65)c43)nc3c2ccc2ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ADRA1B P35368 1/20 0.32
NTRK1 P04629 1/20 0.32
KDM4E B2RXH2 4/20 0.32
HSD17B10 Q99714 2/20 0.32
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
TP53 P04637 1/20 0.32
MAPK10 P53779 1/20 0.32
ALDH1A1 P00352 3/20 0.31
SALL4 Q9UJQ4 2/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PARP1 P09874 1/20 0.31
HPGD P15428 2/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL23917104 0.89 ALDH1A1 (0.42) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL23917318 0.88 NPC1 (0.36) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL21622869 0.87 KDM4E (0.35) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL23917351 0.87 ALDH1A1 (0.41) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL21622878 0.84 KDM4E (0.36) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL21622660 0.84 ALDH1A1 (0.34) NPC1RAB9AKDM4EALDH1A1GLA
SCHEMBL18026413 0.83 KDM4E (0.38) KDM4EHSD17B10KMT2AMEN1ALDH1A1
SCHEMBL23917145 0.82 KDM4E (0.39) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL23917309 0.82 KDM4E (0.39) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL23917066 0.82 KDM4E (0.37) NPC1RAB9AKDM4EHSD17B10KMT2A

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-11581497-B2 Materials for organic electroluminescent devices MERCK PATENT GMBH (DE) 2023-02-14 US disclosed
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-10-14 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 (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 NPC1 3299/4885RAB9A 2729/4885ADRA1B 4239/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM NPC1 3299/4885RAB9A 2729/4885ADRA1B 4239/4885

“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.