SCHEMBL20030006

SCHEMBL20030006

c1ccc(-n2c3ccccc3c3cc(-c4ccc5oc6nc(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)c(-c7ccc(-c8cccc9c8oc8ccccc89)cc7)nc6c5c4)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.39
PRKDC P78527 3/20 0.35
PIM1 P11309 1/20 0.34
CSNK2A2 P19784 1/20 0.34
CSNK2B P67870 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ATM Q13315 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 1/20 0.32
PTGER1 P34995 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
GGPS1 O95749 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
PTGER4 P35408 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL19537967 0.89 ALOX5 (0.39) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL20030008 0.88 KDM4E (0.42) PRKDCPIM1CSNK2A2CSNK2BPIM3
SCHEMBL20029869 0.88 KDM4E (0.42) PRKDCPIM1CSNK2A2CSNK2BPIM3
SCHEMBL20029896 0.88 ALOX5 (0.39) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL20029856 0.87 ALOX5 (0.38) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL20030004 0.87 SMN1; SMN2 (0.34) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL10331642 0.86 ALOX5 (0.49) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL10165772 0.86 ALOX5 (0.49) ALOX5PRKDCKDM4EATML3MBTL1
SCHEMBL9881128 0.86 ALOX5 (0.49) ALOX5PRKDCPIM1CSNK2A2CSNK2B
SCHEMBL20024239 0.85 KDM4E (0.35) PRKDCPIM1CSNK2A2CSNK2BPIM3

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 ALOX5 706/4885PRKDC 869/4885PIM1 344/4885
US-11530224-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures DDT, ESD, DBF4 ALOX5 706/4885PRKDC 869/4885PIM1 344/4885

“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.