SCHEMBL20161065

SCHEMBL20161065

N#Cc1cc(-c2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2-c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc(C#N)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PDE9A O76083 3/20 0.42
PDE1C Q14123 2/20 0.42
ALDH1A1 P00352 5/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HPGD P15428 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
HTR3A P46098 1/20 0.39
MEN1 O00255 2/20 0.37
GAA P10253 1/20 0.36
HDAC4 P56524 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL24927234 0.89 KDM4E (0.40) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL24927619 0.88 KDM4E (0.46) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL17483345 0.87 KDM4E (0.52) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL24927507 0.86 KDM4E (0.40) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL22216783 0.86 KDM4E (0.53) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL17483445 0.84 KDM4E (0.50) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL24927614 0.83 KDM4E (0.44) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL17483325 0.82 KDM4E (0.52) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL18327031 0.82 KDM4E (0.52) KDM4EATML3MBTL1PDE9APDE1C
SCHEMBL31273539 0.82 SQOR (0.41) KDM4EATML3MBTL1PDE9APDE1C

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 7 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
EP-4271163-A2 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP Merck Patent GmbH (DE) 2023-11-01 EP 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 KDM4E 2457/4885ATM 3290/4885L3MBTL1 2196/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 KDM4E 2457/4885ATM 3290/4885L3MBTL1 2196/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 KDM4E 2457/4885ATM 3290/4885L3MBTL1 2196/4885

“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.