SCHEMBL22247694

SCHEMBL22247694

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-n4c5c6ccccc6n(-c6ccccc6)c5n5c6ccccc6nc45)c3)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 1/20 0.37
ABCG2 Q9UNQ0 5/20 0.35
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
GAA P10253 1/20 0.35
HTT P42858 2/20 0.35
MAPK1 P28482 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ATM Q13315 2/20 0.34
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
IL1R1 P14778 1/20 0.33
HSD17B10 Q99714 3/20 0.33
POLB P06746 2/20 0.33
MAPT P10636 2/20 0.33
CRHBP P24387 1/20 0.33
RECQL P46063 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL29542195 1.00 KDM4E (0.37) KDM4EALDH1A1HPGDABCG2MEN1
SCHEMBL22247941 1.00 KDM4E (0.37) KDM4EALDH1A1HPGDABCG2MEN1
SCHEMBL24355738 0.98 ALDH1A1 (0.36) KDM4EALDH1A1HPGDABCG2MEN1
SCHEMBL24355781 0.98 ALDH1A1 (0.36) KDM4EALDH1A1HPGDABCG2MEN1
SCHEMBL22248240 0.94 KDM4E (0.36) KDM4EALDH1A1HPGDABCG2MEN1
SCHEMBL22248243 0.94 KDM4E (0.36) KDM4EALDH1A1HPGDABCG2MEN1
SCHEMBL24355840 0.92 ALDH1A1 (0.39) KDM4EALDH1A1HPGDABCG2MEN1
SCHEMBL22247925 0.92 ALDH1A1 (0.39) KDM4EALDH1A1HPGDABCG2MEN1
SCHEMBL22248113 0.90 KDM4E (0.35) KDM4EALDH1A1HPGDABCG2MEN1
SCHEMBL22247713 0.90 ABCG2 (0.31) KDM4EABCG2L3MBTL1ATM

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-20220127285-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2022-04-28 US disclosed
WO-2020148243-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-07-23 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 (1 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-20220127285-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES PIEZO1, LEF1, L1CAM KDM4E 2985/4885ALDH1A1 11/4885HPGD 1203/4885

“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.