SCHEMBL23917318

SCHEMBL23917318

c1ccc(-c2nc(-n3c4ccccc4c4c5nc6ccccn6c5ccc43)nc3c2ccc2ccccc23)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ADRA1B P35368 1/20 0.32
NTRK1 P04629 1/20 0.32
KDM4E B2RXH2 3/20 0.31
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
GABRA1 P14867 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRB3 P28472 1/20 0.30
GABRA3 P34903 1/20 0.30
GABRA2 P47869 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
SCHEMBL23917073 0.88 NPC1 (0.36) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL21622982 0.87 ALDH1A1 (0.43) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL18026430 0.85 MAPT (0.37) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL23917140 0.82 KDM4E (0.36) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL23917128 0.82 KDM4E (0.37) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL23917145 0.82 KDM4E (0.39) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL23917309 0.82 KDM4E (0.39) NPC1RAB9AADRA1BNTRK1KDM4E
SCHEMBL22211857 0.82 ALDH1A1 (0.35) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL22133345 0.82 L3MBTL1 (0.40) KDM4EALDH1A1HPGDMAPTNPSR1
SCHEMBL18026397 0.81 KDM4E (0.41) KDM4EALDH1A1GAAHPGDMAPT

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.