SCHEMBL21670773

SCHEMBL21670773

Brc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.56
ALDH1A1 P00352 3/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
CYP2C19 P33261 2/20 0.53
MAPT P10636 1/20 0.53
KDM4E B2RXH2 2/20 0.51
CYP3A4 P08684 1/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 1/20 0.51
XIAP P98170 1/20 0.51
ALOX5 P09917 3/20 0.49
MAPK1 P28482 1/20 0.48
CDC7 O00311 3/20 0.47
DBF4 Q9UBU7 3/20 0.47
PTGDR2 Q9Y5Y4 1/20 0.46
MAPK13 O15264 1/20 0.46
GCGR P47871 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46

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
SCHEMBL9768642 0.91 ALDH1A1 (0.62) PTGS2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11460695 0.84 KDM4E (0.58) PTGS2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL12245630 0.84 ALOX5 (0.69) PTGS2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11284205 0.84 KDM4E (0.58) PTGS2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11462189 0.84 KDM4E (0.58) PTGS2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11287147 0.84 PTGS2 (0.74) PTGS2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL7839944 0.83 PTGS2 (0.65) PTGS2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11754465 0.83 ALDH1A1 (0.50) PTGS2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11754692 0.83 ALDH1A1 (0.50) PTGS2ALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL11753334 0.83 ALDH1A1 (0.50) PTGS2ALDH1A1CYP1A2CYP2D6CYP2C19

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
CN-110818575-B Organic compound, organic light emitting diode and organic light emitting device containing the same 乐金显示有限公司 2023-04-07 CN disclosed
US-11417845-B2 Organic compound, organic light-emitting diode and organic light-emitting device containing the compound LG DISPLAY CO., LTD. (KR) 2022-08-16 US disclosed
EP-3608307-B1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE COMPOUND LG DISPLAY CO LTD (KR) 2021-12-29 EP disclosed
CN-110818575-A Organic compound, organic light emitting diode and organic light emitting device containing the same 乐金显示有限公司 2020-02-21 CN disclosed
US-20200052222-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE COMPOUND LG DISPLAY CO., LTD. (KR) 2020-02-13 US disclosed
EP-3608307-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE COMPOUND LG Display Co., Ltd. (KR) 2020-02-12 EP 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 (2 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-20200052222-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING DIODE AND ORGANIC LIGHT-EMITTING DEVICE CONTAINING THE COMPOUND AAAS, ORC3, TRPA1 PTGS2 3037/4885ALDH1A1 205/4885CYP1A2 814/4885
US-11417845-B2 Organic compound, organic light-emitting diode and organic light-emitting device containing the compound AAAS, ORC3, TRPA1 PTGS2 3037/4885ALDH1A1 205/4885CYP1A2 814/4885

“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.