SCHEMBL20161061

SCHEMBL20161061

c1ccc(-c2nc(-c3ccccc3)nc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c(-c4ccccc4)c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.52
ATM Q13315 2/20 0.52
KDM4E B2RXH2 1/20 0.52
KMT2A Q03164 5/20 0.43
HDAC4 P56524 1/20 0.39
MEN1 O00255 3/20 0.39
PTPN1 P18031 1/20 0.37
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
IL1R1 P14778 1/20 0.37
ALDH1A1 P00352 3/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
RXRA P19793 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
OXTR P30559 1/20 0.35
PTK2B Q14289 1/20 0.35
NPSR1 Q6W5P4 1/20 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
SCHEMBL12614002 0.92 L3MBTL1 (0.50) L3MBTL1ATMKDM4EKMT2AHDAC4
SCHEMBL4546807 0.92 L3MBTL1 (0.61) L3MBTL1ATMKDM4EKMT2AHDAC4
SCHEMBL6373814 0.92 L3MBTL1 (0.61) L3MBTL1ATMKDM4EKMT2AHDAC4
SCHEMBL29559401 0.92 L3MBTL1 (0.61) L3MBTL1ATMKDM4EKMT2AHDAC4
SCHEMBL22143352 0.92 ATM (0.44) L3MBTL1ATMKDM4EKMT2AHDAC4
SCHEMBL22143369 0.92 ATM (0.44) L3MBTL1ATMKDM4EKMT2AHDAC4
SCHEMBL20596613 0.91 L3MBTL1 (0.50) L3MBTL1ATMKDM4EKMT2AMEN1
SCHEMBL20595940 0.91 L3MBTL1 (0.50) L3MBTL1ATMKDM4EKMT2AMEN1
SCHEMBL20596461 0.91 L3MBTL1 (0.50) L3MBTL1ATMKDM4EKMT2AMEN1
SCHEMBL20596648 0.91 L3MBTL1 (0.50) L3MBTL1ATMKDM4EKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-11-02 US disclosed
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2023-11-02 US disclosed
US-11711976-B2 Compounds with an acceptor and a donor group MERCK PATENT GMBH (DE) 2023-07-25 US disclosed
US-11711976-B2 Compounds with an acceptor and a donor group MERCK PATENT GMBH (DE) 2023-07-25 US disclosed
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2020-06-25 US disclosed
WO-2018087346-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP MERCK PATENT GMBH (DE) 2018-05-17 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 (3 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-11711976-B2 Compounds with an acceptor and a donor group NQO1, ICMT, NUDT1 L3MBTL1 2196/4885ATM 3290/4885KDM4E 2457/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 L3MBTL1 2196/4885ATM 3290/4885KDM4E 2457/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 L3MBTL1 2196/4885ATM 3290/4885KDM4E 2457/4885

“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.