SCHEMBL20161057

SCHEMBL20161057

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccc(-c6c(-c7ccccc7)c(-c7ccccc7)c(-c7ccccc7)c(-c7ccc(-n8c9ccccc9c9ccc%10c(c98)C8(c9ccccc9-c9ccccc98)c8ccccc8-%10)cc7)c6-c6ccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)cc6)cc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-c4ccc(-n5c6ccccc6c6ccc7c(c65)C5(c6ccccc6-c6ccccc65)c5ccccc5-7)cc4)cc3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DUSP3 P51452 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ATM Q13315 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
KMT2A Q03164 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
SCHEMBL22143526 1.00 DUSP3 (0.34) DUSP3KDM4EATML3MBTL1KMT2A
SCHEMBL22143422 1.00 DUSP3 (0.34) DUSP3KDM4EATML3MBTL1KMT2A
SCHEMBL18505602 0.92 DUSP3 (0.34) DUSP3KDM4EATML3MBTL1KMT2A
SCHEMBL14681681 0.91 KDM4E (0.35) DUSP3KDM4EATML3MBTL1KMT2A
SCHEMBL17034667 0.89 L3MBTL1 (0.39) DUSP3KDM4EATML3MBTL1KMT2A
SCHEMBL20161202 0.88 MDM2 (0.37) DUSP3KDM4EATML3MBTL1KMT2A
SCHEMBL20160997 0.88 MDM2 (0.37) DUSP3KDM4EATML3MBTL1KMT2A
SCHEMBL20161201 0.88 MDM2 (0.37) DUSP3KDM4EATML3MBTL1KMT2A
SCHEMBL2603525 0.88 DUSP3 (0.37) DUSP3KDM4EATML3MBTL1
SCHEMBL17379733 0.87 KDM4E (0.32) KDM4EATML3MBTL1

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 DUSP3 4229/4885KDM4E 2457/4885ATM 3290/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 DUSP3 4229/4885KDM4E 2457/4885ATM 3290/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 DUSP3 4229/4885KDM4E 2457/4885ATM 3290/4885

“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.