SCHEMBL20110472

SCHEMBL20110472

Cc1nc(-c2c(C)cccc2C)nc(-c2c(C)cccc2C)n1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.50
CYP2A6 P11509 3/20 0.43
CYP1A2 P05177 3/20 0.43
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.37
CD44 P16070 1/20 0.37
TSHR P16473 1/20 0.36
ACHE P22303 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
HTR7 P34969 2/20 0.36
NOS3 P29474 2/20 0.36
NOS2 P35228 2/20 0.36
SRC P12931 1/20 0.35
NOS1 P29475 1/20 0.34

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
SCHEMBL12200494 0.81 CYP2A6 (0.50) L3MBTL1CYP2A6CYP1A2ALDH1A1TSHR
SCHEMBL2508698 0.81 HSP90AA1 (0.44) L3MBTL1CYP2A6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL13312929 0.78 CYP2A6 (0.36) CYP2A6CYP1A2ALDH1A1CD44TSHR
SCHEMBL18938791 0.76 CYP2A6 (0.43) CYP2A6CYP1A2ALDH1A1SMN1; SMN2CD44
SCHEMBL24689624 0.75 CYP2A6 (0.38) CYP2A6CYP1A2ALDH1A1CD44TSHR
SCHEMBL13589308 0.75 L3MBTL1 (0.39) L3MBTL1CYP2A6CYP1A2ALDH1A1SMN1; SMN2
SCHEMBL13869971 0.75 CYP2A6 (0.43) L3MBTL1CYP2A6CYP1A2ALDH1A1CD44
SCHEMBL15855019 0.75 LMNA (0.37) CYP2A6CYP1A2ALDH1A1CD44HTR7
SCHEMBL20072679 0.75 C1R (0.34) CYP2A6CYP1A2ALDH1A1CD44TSHR
SCHEMBL18216913 0.73 L3MBTL1 (0.54) L3MBTL1CYP1A2ALDH1A1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230380274-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-23 US disclosed
US-20230380274-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-11-23 US disclosed
US-11758808-B2 Ortho-substituted thermally activated delayed fluorescence material and organic light-emitting device comprising same SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-12 US disclosed
US-11758808-B2 Ortho-substituted thermally activated delayed fluorescence material and organic light-emitting device comprising same SAMSUNG DISPLAY CO., LTD. (KR) 2023-09-12 US disclosed
US-20230189641-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-15 US disclosed
US-20230189641-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2023-06-15 US disclosed
US-20180123049-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-03 US disclosed
US-20180123049-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-03 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-20230189641-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME TEAD2, TEAD3, TEAD4 L3MBTL1 464/4885CYP2A6 1181/4885CYP1A2 1169/4885
US-20230380274-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME TEAD2, TEAD3, TEAD4 L3MBTL1 464/4885CYP2A6 1181/4885CYP1A2 1169/4885
US-20180123049-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME TEAD2, TEAD3, TEAD4 L3MBTL1 464/4885CYP2A6 1181/4885CYP1A2 1169/4885
US-11758808-B2 Ortho-substituted thermally activated delayed fluorescence material and organic light-emitting device comprising same TEAD2, TEAD3, TEAD4 L3MBTL1 464/4885CYP2A6 1181/4885CYP1A2 1169/4885

“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.