SCHEMBL20030086

SCHEMBL20030086

c1ccc(-c2nc(-n3c4ccccc4c4ccccc43)nc3c2oc2ccc(-c4ccc5oc6ccccc6c5c4)cc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ ALDH1A1 P00352 6/20 0.36
▸ TSHR P16473 4/20 0.36
▸ HPGD P15428 3/20 0.36
▸ MAPT P10636 9/20 0.36
▸ KMT2A Q03164 5/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ CSF1R P07333 1/20 0.36
▸ PDGFRB P09619 1/20 0.36
▸ KIT P10721 1/20 0.36
▸ FLT3 P36888 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PLA2G2A P14555 2/20 0.35
▸ PLA2G4A P47712 2/20 0.35
▸ KDM4E B2RXH2 4/20 0.34
▸ POLB P06746 3/20 0.34

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
SCHEMBL24746376 0.93 PIM1 (0.37) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL19679645 0.92 TSHR (0.37) ALDH1A1TSHRHPGDMAPTKMT2A
SCHEMBL20030085 0.89 KDM4E (0.38) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL20029924 0.89 KDM4E (0.38) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL16905618 0.88 TSHR (0.44) ALDH1A1TSHRHPGDMAPTKMT2A
SCHEMBL19246994 0.88 TSHR (0.38) ALDH1A1TSHRHPGDMAPTKMT2A
SCHEMBL19246887 0.88 TSHR (0.38) ALDH1A1TSHRHPGDMAPTKMT2A
SCHEMBL20024252 0.87 PIM1 (0.38) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL20024249 0.87 PIM1 (0.38) PIM1CSNK2A2CSNK2BPIM3PIM2
SCHEMBL17087599 0.87 KDM4E (0.38) ALDH1A1TSHRHPGDMAPTKMT2A

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-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
US-9238815-B2 Compositions and methods for inhibiting human host factors required for influenza virus replication Icahn School of Medicine at Mounta Sinai (US) 2016-01-19 — — US 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 PIM1 344/4885CSNK2A2 4573/4885CSNK2B 4537/4885
US-11530224-B2 Compounds with diazadibenzofurane or diazadibenzothiophene structures DDT, ESD, DBF4 PIM1 344/4885CSNK2A2 4573/4885CSNK2B 4537/4885

“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.

Send feedback