SCHEMBL17853075

SCHEMBL17853075

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5c6cccc(-c7ccc(-c8nc(-c9ccccc9)nc(-c9ccccc9)n8)cc7)c6n(-c6ccccc6)c45)cc3)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ATM Q13315 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
TSHR P16473 2/20 0.41
TP53 P04637 1/20 0.41
NFKB1 P19838 1/20 0.41
MAPK1 P28482 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AVPR1A P37288 1/20 0.40
ADORA3 P0DMS8 1/20 0.38

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
SCHEMBL16441657 0.94 MEN1 (0.38) ABCG2MEN1KMT2AATML3MBTL1
SCHEMBL21157818 0.93 AVPR1A (0.39) ABCG2MEN1KMT2AATML3MBTL1
SCHEMBL21157175 0.93 AVPR1A (0.39) ABCG2MEN1KMT2AATML3MBTL1
SCHEMBL26421353 0.91 AVPR1A (0.38) ABCG2MEN1KMT2AATML3MBTL1
SCHEMBL18676964 0.91 L3MBTL1 (0.49) ABCG2MEN1KMT2AATML3MBTL1
SCHEMBL16441652 0.91 MEN1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL16441649 0.90 ABCG2 (0.39) ABCG2MEN1KMT2AATML3MBTL1
SCHEMBL16441656 0.90 MEN1 (0.49) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL23635120 0.90 L3MBTL1 (0.47) ABCG2MEN1KMT2AATML3MBTL1
SCHEMBL21666163 0.89 KDM4E (0.45) ABCG2MEN1KMT2AATML3MBTL1

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 7 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-20190214577-A1 THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL, POLYMER, MIXTURE, FORMULATION, AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-07-11 US 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 (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-20190214577-A1 THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL, POLYMER, MIXTURE, FORMULATION, AND ORGANIC ELECTRONIC DEVICE TEAD2, TEAD3, TEAD1 ABCG2 283/4885MEN1 4137/4885KMT2A 2607/4885
US-20160181548-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 ABCG2 3056/4885MEN1 1322/4885KMT2A 864/4885
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 ABCG2 3056/4885MEN1 1322/4885KMT2A 864/4885
US-11588117-B2 Materials for electronic devices EPHB3, EPHA3, EPHB4 ABCG2 3056/4885MEN1 1322/4885KMT2A 864/4885

“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.