SCHEMBL17853065

SCHEMBL17853065

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4cccc5cccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c45)cc3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
TSHR P16473 5/20 0.46
MAPK1 P28482 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
HSD17B10 Q99714 3/20 0.46
ATM Q13315 3/20 0.46
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA2B P29275 2/20 0.46
ADORA1 P30542 2/20 0.46
ALOX15 P16050 1/20 0.46
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 4/20 0.43
TP53 P04637 2/20 0.42
CASP1 P29466 2/20 0.42
CASP7 P55210 2/20 0.42
HIF1A Q16665 1/20 0.42
GPR55 Q9Y2T6 1/20 0.42

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
SCHEMBL27455783 0.98 ALDH1A1 (0.45) ALDH1A1TSHRMAPK1L3MBTL1HSD17B10
SCHEMBL23633544 0.98 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1L3MBTL1HSD17B10
SCHEMBL16716533 0.96 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1L3MBTL1HSD17B10
SCHEMBL17655896 0.94 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1L3MBTL1HSD17B10
SCHEMBL16716576 0.94 ALDH1A1 (0.48) ALDH1A1TSHRMAPK1L3MBTL1HSD17B10
SCHEMBL16716593 0.94 ALDH1A1 (0.52) ALDH1A1TSHRMAPK1L3MBTL1HSD17B10
SCHEMBL21159678 0.92 MEN1 (0.57) ALDH1A1TSHRMAPK1L3MBTL1ADORA3
SCHEMBL17853067 0.92 MEN1 (0.57) ALDH1A1TSHRMAPK1L3MBTL1ADORA3
SCHEMBL21131651 0.92 KCNH2 (0.41) ALDH1A1TSHRMAPK1L3MBTL1HSD17B10
SCHEMBL26031536 0.91 TSHR (0.45) ALDH1A1TSHRMAPK1L3MBTL1HSD17B10

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 ALDH1A1 1092/4885TSHR 4540/4885MAPK1 3217/4885
US-20230210004-A1 MATERIALS FOR ELECTRONIC DEVICES EPHB3, EPHA3, EPHB4 ALDH1A1 1092/4885TSHR 4540/4885MAPK1 3217/4885
US-11588117-B2 Materials for electronic devices EPHB3, EPHA3, EPHB4 ALDH1A1 1092/4885TSHR 4540/4885MAPK1 3217/4885

“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.