SCHEMBL21622927

SCHEMBL21622927

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4c3ccn3c5ccccc5nc43)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.42
ALDH1A1 P00352 6/20 0.42
HPGD P15428 5/20 0.42
LMNA P02545 3/20 0.40
TP53 P04637 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ADORA2A P29274 1/20 0.39
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE5A O76074 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
ACP1 P24666 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35

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
SCHEMBL23917082 0.88 ALDH1A1 (0.47) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL23917074 0.84 KDM4E (0.41) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL23917364 0.82 KDM4E (0.49) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL17997064 0.81 HPGD (0.47) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL21622775 0.81 KDM4E (0.36) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL10027613 0.80 L3MBTL1 (0.41) KDM4EALDH1A1HPGDLMNAMAPT
SCHEMBL16066513 0.80 KDM4E (0.49) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL23917394 0.79 KDM4E (0.45) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL16066687 0.79 KDM4E (0.48) KDM4EALDH1A1HPGDLMNATP53
SCHEMBL23917319 0.79 KDM4E (0.41) KDM4EALDH1A1HPGDLMNATP53

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 KDM4E 2132/4885ALDH1A1 504/4885HPGD 1534/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM KDM4E 2132/4885ALDH1A1 504/4885HPGD 1534/4885

“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.