SCHEMBL20030169

SCHEMBL20030169

c1ccc(-c2nc(-c3ccc4c(c3)c3ccccc3n4-c3ccccc3)nc3c2oc2ccc(-c4ccc5c(c4)c4ccccc4n5-c4ccccc4)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 5/20 0.38
TSHR P16473 4/20 0.38
HPGD P15428 2/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
PIM3 Q86V86 1/20 0.38
PIM2 Q9P1W9 1/20 0.38
MAPT P10636 9/20 0.36
POLB P06746 3/20 0.36
LMNA P02545 5/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
PTGER4 P35408 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
NPY5R Q15761 1/20 0.35
KMT2A Q03164 4/20 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
SCHEMBL24388280 0.98 PIM1 (0.39) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL20030032 0.98 ALDH1A1 (0.39) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL23380241 0.98 KDM4E (0.38) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL20030059 0.98 ALDH1A1 (0.40) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL20029898 0.98 ALDH1A1 (0.40) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL29697251 0.98 ALDH1A1 (0.40) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL23380634 0.97 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL23380635 0.97 KDM4E (0.37) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL23627846 0.97 PIM1 (0.39) KDM4EATML3MBTL1ALDH1A1TSHR
SCHEMBL24056568 0.97 PIM1 (0.39) KDM4EATML3MBTL1ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030890-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
US-12030890-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures MERCK PATENT GMBH (DE) 2024-07-09 US disclosed
US-11530224-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures MERCK PATENT GMBH (DE) 2022-12-20 US disclosed
EP-3519417-B1 COMPOUNDS WITH DIAZADIBENZOFURANE OR DIAZADIBENZOTHIOPHENE STRUCTURES MERCK PATENT GMBH (DE) 2021-09-08 EP disclosed
WO-2018060307-A1 COMPOUNDS WITH DIAZADIBENZOFURANE OR DIAZADIBENZOTHIOPHENE STRUCTURES MERCK PATENT GMBH (DE) 2018-04-05 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 (2 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-12030890-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures DDT, ESD, DBF4 KDM4E 1004/4885ATM 4367/4885L3MBTL1 3130/4885
US-11530224-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures DDT, ESD, DBF4 KDM4E 1004/4885ATM 4367/4885L3MBTL1 3130/4885

“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.