SCHEMBL21157907

SCHEMBL21157907

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3ccccc3-c3cccc4c5cccc(-c6ccccc6-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5n(-c5ccccc5)c34)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
ADORA3 P0DMS8 1/20 0.41
ALOX15 P16050 1/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
ABCG2 Q9UNQ0 4/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ATM Q13315 3/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
MAPK1 P28482 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL19367127 1.00 TSHR (0.41) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL21365658 0.94 TSHR (0.39) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL21157918 0.92 ABCG2 (0.35) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL21157179 0.91 MEN1 (0.36) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL18676967 0.91 L3MBTL1 (0.47) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL17853075 0.89 ABCG2 (0.41) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL25749786 0.88 MEN1 (0.42) TSHRADORA2AADORA1L3MBTL1ALDH1A1
SCHEMBL23263471 0.87 TSHR (0.41) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL17853073 0.86 TSHR (0.38) TSHRADORA3ALOX15ADORA2AADORA2B
SCHEMBL21190491 0.86 L3MBTL1 (0.49) TSHRADORA3ALOX15ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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 TSHR 3560/4885ADORA3 2835/4885ALOX15 4361/4885

“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.