SCHEMBL20161195

SCHEMBL20161195

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c(-c5ccccc5)c4-n4c5ccccc5c5ccccc54)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
ATM Q13315 2/20 0.41
KDM4E B2RXH2 2/20 0.41
NTSR1 P30989 1/20 0.39
CYP1A1 P04798 4/20 0.37
CYP1A2 P05177 4/20 0.37
CYP1B1 Q16678 4/20 0.37
LMNA P02545 1/20 0.37
GLA P06280 1/20 0.37
ACP1 P24666 2/20 0.36
POLB P06746 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL20110554 0.95 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL21085321 0.95 KMT2A (0.43) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL23054610 0.92 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL21077223 0.92 KMT2A (0.41) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL22143682 0.91 MEN1 (0.49) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL21085304 0.90 ATM (0.41) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL20277122 0.90 L3MBTL1 (0.41) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL20161059 0.90 L3MBTL1 (0.39) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL20276846 0.89 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1MAPT
SCHEMBL20276896 0.89 L3MBTL1 (0.43) L3MBTL1KMT2AMEN1ALDH1A1MAPT

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 L3MBTL1 2196/4885KMT2A 1624/4885MEN1 2437/4885
US-20200203624-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 L3MBTL1 2196/4885KMT2A 1624/4885MEN1 2437/4885
US-20230354701-A1 COMPOUNDS WITH AN ACCEPTOR AND A DONOR GROUP NQO1, ICMT, NUDT1 L3MBTL1 2196/4885KMT2A 1624/4885MEN1 2437/4885

“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.