SCHEMBL24492815

SCHEMBL24492815

c1cc(-c2cncc(-c3cncnc3)c2)cc(-c2cc(-c3cccc(-c4cncc(-c5cncnc5)c4)c3)cc(-n3c4ccccc4c4ccccc43)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DHFR P00374 1/20 0.36
▸ CYP2A6 P11509 1/20 0.36
▸ PRKDC P78527 1/20 0.35
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA3 P32297 1/20 0.34
▸ CYP11B2 P19099 3/20 0.33
▸ CYP11B1 P15538 2/20 0.33
▸ GRM5 P41594 1/20 0.32
▸ BACE1 P56817 2/20 0.32
▸ KAT6A Q92794 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ DUSP3 P51452 1/20 0.32
▸ MKNK1 Q9BUB5 1/20 0.32
▸ MKNK2 Q9HBH9 1/20 0.32
▸ PRMT5 O14744 1/20 0.32
▸ WDR77 Q9BQA1 1/20 0.32

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
SCHEMBL24493054 0.97 ATM (0.44) ATMKDM4EL3MBTL1DHFRCYP2A6
SCHEMBL24493022 0.92 MAOA (0.41) ATMKDM4EL3MBTL1DHFRCYP2A6
SCHEMBL24492877 0.89 MAOA (0.43) ATMKDM4EL3MBTL1DHFRCYP2A6
SCHEMBL24492899 0.88 ATM (0.46) ATMKDM4EL3MBTL1DHFRCYP11B2
SCHEMBL8400383 0.88 L3MBTL1 (0.50) ATMKDM4EL3MBTL1CHRNB4CHRNA3
SCHEMBL29362914 0.88 L3MBTL1 (0.50) ATMKDM4EL3MBTL1CHRNB4CHRNA3
SCHEMBL29358123 0.88 L3MBTL1 (0.50) ATMKDM4EL3MBTL1CHRNB4CHRNA3
SCHEMBL18151976 0.88 L3MBTL1 (0.50) ATMKDM4EL3MBTL1CHRNB4CHRNA3
SCHEMBL11895266 0.88 KDM4E (0.46) ATMKDM4EL3MBTL1CHRNB4CHRNA3
SCHEMBL612234 0.88 L3MBTL1 (0.50) ATMKDM4EL3MBTL1CHRNB4CHRNA3

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220177454-A1 TRISUBSTITUTED BENZENE COMPOUND HAVING NITROGEN-CONTAINING HETERO RING IN MOLECULAR TERMINUS AND ORGANIC ELECTROLUMINESCENCE ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2022-06-09 — — 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 (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-20220177454-A1 TRISUBSTITUTED BENZENE COMPOUND HAVING NITROGEN-CONTAINING HETERO RING IN MOLECULAR TERMINUS AND ORGANIC ELECTROLUMINESCENCE ELEMENT ETV6, LEF1, TEAD2 ATM 3566/4885KDM4E 688/4885L3MBTL1 1418/4885

“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.

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