SCHEMBL20110491

SCHEMBL20110491

Cc1nc(C)nc(-c2cccc3ccccc23)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.52
CYP2A6 P11509 2/20 0.52
DHFR P00374 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
NISCH Q9Y2I1 1/20 0.44
KDM4E B2RXH2 6/20 0.44
ENPP3 O14638 1/20 0.44
ENPP1 P22413 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HPGD P15428 6/20 0.43
HSD17B10 Q99714 6/20 0.43
MAPT P10636 3/20 0.43
MAPK1 P28482 3/20 0.43
TP53 P04637 2/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL13819637 0.96 ALDH1A1 (0.52) ALDH1A1CYP2A6DHFRSMN1; SMN2NISCH
SCHEMBL18212412 0.87 L3MBTL1 (0.66) ALDH1A1CYP2A6DHFRSMN1; SMN2NISCH
SCHEMBL28850503 0.87 ALDH1A1 (0.63) ALDH1A1CYP2A6DHFRSMN1; SMN2HPGD
SCHEMBL23028869 0.86 L3MBTL1 (0.53) ALDH1A1CYP2A6DHFRSMN1; SMN2KDM4E
SCHEMBL23028868 0.84 L3MBTL1 (0.61) ALDH1A1CYP2A6DHFRSMN1; SMN2KDM4E
SCHEMBL12636093 0.84 ALDH1A1 (0.50) ALDH1A1CYP2A6DHFRSMN1; SMN2NISCH
SCHEMBL23603103 0.82 L3MBTL1 (0.53) ALDH1A1CYP2A6SMN1; SMN2KDM4EENPP3
SCHEMBL16805050 0.82 L3MBTL1 (0.44) ALDH1A1CYP2A6SMN1; SMN2KDM4EENPP3
SCHEMBL17463146 0.81 DHFR (0.41) ALDH1A1CYP2A6DHFRSMN1; SMN2KDM4E
SCHEMBL19164470 0.81 L3MBTL1 (0.57) ALDH1A1CYP2A6DHFRSMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240074308-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-29 US disclosed
US-20240074308-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-29 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-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
EP-3172775-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-04-20 EP 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 ALDH1A1 884/4885CYP2A6 1181/4885DHFR 971/4885
US-20230380274-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME TEAD2, TEAD3, TEAD4 ALDH1A1 884/4885CYP2A6 1181/4885DHFR 971/4885
US-20180123049-A1 ORTHO-SUBSTITUTED THERMALLY ACTIVATED DELAYED FLUORESCENCE MATERIAL AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME TEAD2, TEAD3, TEAD4 ALDH1A1 884/4885CYP2A6 1181/4885DHFR 971/4885
US-11758808-B2 Ortho-substituted thermally activated delayed fluorescence material and organic light-emitting device comprising same TEAD2, TEAD3, TEAD4 ALDH1A1 884/4885CYP2A6 1181/4885DHFR 971/4885

“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.