SCHEMBL21622705

SCHEMBL21622705

c1ccc(-c2nc(-c3ccccc3)nc(-n3c4ccccc4c4cn5c(cc43)nc3ccccc35)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
ADORA2A P29274 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ATM Q13315 2/20 0.35
ACP1 P24666 2/20 0.35
ADORA3 P0DMS8 1/20 0.35
PDE5A O76074 2/20 0.34
GBA1 P04062 1/20 0.34

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
SCHEMBL21364396 0.90 KDM4E (0.40) ALKALDH1A1KDM4EHPGDADORA2A
SCHEMBL21622763 0.88 ALDH1A1 (0.46) ALKALDH1A1KDM4EHPGDADORA2A
SCHEMBL21622696 0.86 ALK (0.36) ALKALDH1A1KDM4EHPGDADORA2A
SCHEMBL23917083 0.82 KDM4E (0.38) ALKALDH1A1KDM4EHPGDADORA2A
SCHEMBL21364412 0.82 KDM4E (0.34) ALKALDH1A1KDM4EHPGDADORA2A
SCHEMBL23917109 0.81 ALDH1A1 (0.35) ALKALDH1A1KDM4EHPGDADORA2A
SCHEMBL21623384 0.81 ALDH1A1 (0.39) ALKALDH1A1KDM4EHPGDADORA2A
SCHEMBL21622698 0.80 ESR1 (0.42) ALKALDH1A1KDM4EHPGDADORA2A
SCHEMBL12691200 0.79 L3MBTL1 (0.42) ALDH1A1KDM4EHPGDADORA2AMAPT
SCHEMBL2754648 0.79 L3MBTL1 (0.42) ALDH1A1KDM4EHPGDADORA2AMAPT

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 ALK 1054/4885ALDH1A1 504/4885KDM4E 2132/4885
US-20210320264-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, EPCAM, L1CAM ALK 1054/4885ALDH1A1 504/4885KDM4E 2132/4885

“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.