SCHEMBL17853073

SCHEMBL17853073

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cccc5c6cccc(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6n(-c6ccccc6)c45)c3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
ADORA3 P0DMS8 1/20 0.38
ALOX15 P16050 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
ABCG2 Q9UNQ0 4/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
MAPK1 P28482 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37

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
SCHEMBL16441649 0.97 ABCG2 (0.39) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL16441657 0.94 MEN1 (0.38) TSHRABCG2MEN1GAAKMT2A
SCHEMBL21157076 0.93 ABCG2 (0.37) TSHRABCG2MEN1GAAKMT2A
SCHEMBL14296098 0.92 KDM4E (0.44) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL25749784 0.92 MEN1 (0.46) TSHRADORA2AADORA1MEN1GAA
SCHEMBL21365828 0.91 MEN1 (0.38) TSHRMEN1KMT2AL3MBTL1KDM4E
SCHEMBL21157911 0.91 MEN1 (0.37) TSHRABCG2MEN1GAAKMT2A
SCHEMBL25749786 0.90 MEN1 (0.42) TSHRADORA2AADORA1MEN1GAA
SCHEMBL18676965 0.89 L3MBTL1 (0.46) TSHRABCG2MEN1GAAKMT2A
SCHEMBL17853074 0.88 MEN1 (0.46) ADORA2AADORA1MEN1GAAKMT2A

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-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 US disclosed
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 US disclosed
US-11588117-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2023-02-21 US disclosed
EP-3647393-A1 MATERIALS FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2020-05-06 EP disclosed
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-23 US disclosed
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2016-06-23 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 (3 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-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 TSHR 4540/4885ADORA3 3074/4885ALOX15 2939/4885
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 TSHR 4540/4885ADORA3 3074/4885ALOX15 2939/4885
US-11588117-B2 Materials for electronic devices EPHB3, EPHA3, EPHB4 TSHR 4540/4885ADORA3 3074/4885ALOX15 2939/4885

“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.