SCHEMBL2389888

SCHEMBL2389888

c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)Sc1ccc(-n3c4ccccc4c4ccccc43)cc1S2

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.52
▸ ATM Q13315 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ GPR3 P46089 1/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PTPN1 P18031 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ BCHE P06276 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ EDNRB P24530 1/20 0.31
▸ EDNRA P25101 1/20 0.31
▸ CYP19A1 P11511 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
SCHEMBL13507759 0.83 KDM4E (0.43) KDM4EATML3MBTL1
SCHEMBL29949424 0.83 L3MBTL1 (0.47) KDM4EATML3MBTL1ALDH1A1HDAC4
SCHEMBL17117450 0.82 L3MBTL1 (0.46) KDM4EATML3MBTL1GPR3CYP1A2
SCHEMBL17109674 0.81 NOX1 (0.47) KDM4EATML3MBTL1GPR3POLB
SCHEMBL23954411 0.81 KDM4E (0.44) KDM4EATML3MBTL1GPR3POLB
SCHEMBL12259331 0.81 KDM4E (0.41) KDM4EATML3MBTL1EDNRBEDNRA
SCHEMBL12259323 0.81 NOX1 (0.48) KDM4EATML3MBTL1GPR3
SCHEMBL28514016 0.80 ATM (0.47) KDM4EATML3MBTL1ALDH1A1HDAC4
SCHEMBL29949396 0.80 ATM (0.47) KDM4EATML3MBTL1ALDH1A1HDAC4
SCHEMBL24643816 0.79 KDM4E (0.42) KDM4EATML3MBTL1PTPN1BCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984079-B1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2020-07-01 — — EP disclosed
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices POWER OLEDS LIMITED (GB) 2019-10-08 — — US disclosed
US-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2018-11-08 — — US disclosed
EP-2984079-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES Power Oleds Limited (GB) 2016-02-17 — — EP disclosed
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LTD (GB) 2016-02-04 — — US disclosed
WO-2014167286-A2 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES POWER OLEDS LIMITED (GB) 2014-10-16 — — WO disclosed
US-8012606-B2 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-09-06 — — US disclosed
US-8012606-B2 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-09-06 — — US disclosed
US-8012606-B2 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD. (JP) 2011-09-06 — — US disclosed
US-20090153031-A1 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD (JP) 2009-06-18 — — US disclosed
US-20090153031-A1 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD (JP) 2009-06-18 — — US disclosed
US-20090153031-A1 Heterocyclic compound and organic electroluminescent device using the same NIPPON STEEL CHEMICAL CO., LTD (JP) 2009-06-18 — — 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 (4 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-20180323378-A9 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 KDM4E 4166/4885ATM 4288/4885L3MBTL1 899/4885
US-10439147-B2 Heterocyclic compounds and their use in electro-optical or opto-electronic devices NAT1, SLCO2A1, SLCO2B1 KDM4E 4166/4885ATM 4288/4885L3MBTL1 899/4885
US-20160035983-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE IN ELECTRO-OPTICAL OR OPTO-ELECTRONIC DEVICES NAT1, SLCO2A1, SLCO2B1 KDM4E 4166/4885ATM 4288/4885L3MBTL1 899/4885
US-20090153031-A1 Heterocyclic compound and organic electroluminescent device using the same ORC3, NAP1L4, NR4A2 KDM4E 1619/4885ATM 3596/4885L3MBTL1 1984/4885

“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.

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