SCHEMBL17232201

SCHEMBL17232201

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc4c3sc3ccccc34)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
PARP14 Q460N5 1/20 0.43
GPR3 P46089 1/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
TSHR P16473 2/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2B P29275 2/20 0.41
ALOX15 P16050 1/20 0.41
TNKS O95271 1/20 0.40
TNKS2 Q9H2K2 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ATM Q13315 3/20 0.40
MAPT P10636 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL15501880 1.00 ALOX5 (0.50) ALOX5PARP14GPR3ADORA2AADORA1
SCHEMBL21658962 0.97 ALOX5 (0.48) ALOX5PARP14GPR3ADORA2AADORA1
SCHEMBL21304444 0.97 ALOX5 (0.51) ALOX5PARP14GPR3ADORA2AADORA1
SCHEMBL22547530 0.97 ALOX5 (0.51) ALOX5PARP14GPR3ADORA2AADORA1
SCHEMBL23349698 0.97 ALOX5 (0.48) ALOX5PARP14GPR3ADORA2AADORA1
SCHEMBL24450625 0.97 ALOX5 (0.51) ALOX5PARP14GPR3ADORA2AADORA1
SCHEMBL21304295 0.97 ALOX5 (0.51) ALOX5PARP14GPR3ADORA2AADORA1
SCHEMBL23008288 0.97 ALOX5 (0.51) ALOX5PARP14GPR3ADORA2AADORA1
SCHEMBL21390563 0.97 ALOX5 (0.48) ALOX5PARP14GPR3ADORA2AADORA1
SCHEMBL21304522 0.97 ALOX5 (0.51) ALOX5PARP14GPR3ADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220059774-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-02-24 US disclosed
EP-3533794-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-02-23 EP disclosed
US-10985330-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2021-04-20 US disclosed
WO-2020071863-A1 COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME 주식회사 엘지화학 2020-04-09 WO disclosed
EP-3533794-A2 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2019-09-04 EP disclosed
US-10355223-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-07-16 US disclosed
EP-3137458-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2019-04-24 EP disclosed
US-20170062736-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-03-02 US disclosed
US-20170062736-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2017-03-02 US disclosed
WO-2015165563-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-05 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 (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-20170062736-A1 MATERIALS FOR ELECTRONIC DEVICES EPHA3, EPHA6, DDT ALOX5 3691/4885PARP14 2698/4885GPR3 3880/4885
US-10355223-B2 Materials for electronic devices EPHA3, EPHA6, DDT ALOX5 3691/4885PARP14 2698/4885GPR3 3880/4885
US-20220059774-A1 MATERIALS FOR ELECTRONIC DEVICES EPHA3, EPHA6, DDT ALOX5 3691/4885PARP14 2698/4885GPR3 3880/4885
US-10985330-B2 Materials for electronic devices EPHA3, EPHA6, DDT ALOX5 3691/4885PARP14 2698/4885GPR3 3880/4885

“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.