SCHEMBL21157057

SCHEMBL21157057

CC(C)(C)c1cc(-c2cccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)c2)c2sc3c(-c4cccc(-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)c4)cc4ccccc4c3c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 2/20 0.38
GPR84 Q9NQS5 1/20 0.33
TP53 P04637 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
RAB9A P51151 1/20 0.30
KMT2A Q03164 1/20 0.30
USP2 O75604 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
ALOX15 P16050 1/20 0.30
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30

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
SCHEMBL21157801 0.90 GPR84 (0.35) ABCG2GPR84L3MBTL1CYP2C9MAPK1
SCHEMBL21157807 0.89 ABCG2 (0.37) ABCG2GPR84TP53SMN1; SMN2ADORA2A
SCHEMBL21157893 0.89 ABCG2 (0.37) ABCG2GPR84TP53SMN1; SMN2ADORA2A
SCHEMBL21157165 0.88 ABCG2 (0.41) ABCG2TP53SMN1; SMN2ADORA2AADORA1
SCHEMBL21157053 0.86 LIMK1 (0.39) TP53SMN1; SMN2ADORA2AADORA1L3MBTL1
SCHEMBL21157051 0.85 NR1I3 (0.36) ABCG2TP53SMN1; SMN2ADORA2AADORA1
SCHEMBL20064201 0.83 LIMK1 (0.40) GPR84TP53SMN1; SMN2ADORA2AADORA1
SCHEMBL21157889 0.82 GPR84 (0.34) GPR84L3MBTL1MAPK1HSD17B10
SCHEMBL21157150 0.82 GPR84 (0.34) GPR84L3MBTL1MAPK1HSD17B10
SCHEMBL20064208 0.81 LIMK1 (0.39) GPR84TP53SMN1; SMN2ADORA2AADORA1

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 ABCG2 283/4885GPR84 4521/4885TP53 2410/4885

“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.