SCHEMBL22994342

SCHEMBL22994342

COc1cc(OC)c2nc(Nc3nc4c(F)cccc4s3)sc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 16/20 0.63
HPGD P15428 14/20 0.63
MEN1 O00255 13/20 0.63
KMT2A Q03164 13/20 0.63
LMNA P02545 11/20 0.63
KDM4E B2RXH2 11/20 0.63
RAB9A P51151 9/20 0.63
SMN1; SMN2 Q16637 9/20 0.63
NPC1 O15118 8/20 0.63
GAA P10253 8/20 0.63
PRNP P04156 1/20 0.63
DUSP3 P51452 4/20 0.60
MAPT P10636 14/20 0.59
HSD17B10 Q99714 5/20 0.59
TDP1 Q9NUW8 5/20 0.59
USP2 O75604 3/20 0.59
PSMD14 O00487 1/20 0.59
PKM P14618 1/20 0.59
MMP13 P45452 1/20 0.59
ATG4B Q9Y4P1 1/20 0.59

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
SCHEMBL30960491 1.00 ALDH1A1 (0.63) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL22994346 0.87 ALDH1A1 (0.74) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL30960484 0.87 ALDH1A1 (0.74) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL30960486 0.86 ALDH1A1 (0.49) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL22994348 0.86 ALDH1A1 (0.49) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL22994347 0.82 MEN1 (0.70) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL30960490 0.82 MEN1 (0.70) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL22978670 0.81 MEN1 (0.74) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL22994351 0.79 MEN1 (0.60) ALDH1A1HPGDMEN1KMT2ALMNA
SCHEMBL30960487 0.79 MEN1 (0.60) ALDH1A1HPGDMEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113402479-B Antitumor compound based on JWA gene activation and HER2 degradation, preparation method and application thereof 先声药业有限公司 2024-05-17 CN claimed
CN-113402479-A Anti-tumor compound based on JWA gene activation and HER2 degradation, preparation method and application thereof 先声药业有限公司 2021-09-17 CN claimed
CN-110437176-B Anti-tumor compound based on JWA gene activation and HER2 degradation, preparation method and application thereof 先声药业有限公司 2021-08-03 CN claimed
CN-113402479-B Antitumor compound based on JWA gene activation and HER2 degradation, preparation method and application thereof 先声药业有限公司 2024-05-17 CN disclosed
WO-2023104182-A1 ANTI-TUMOR COMPOUND AND USE THEREOF 先声药业有限公司 2023-06-15 WO disclosed
EP-4015510-A1 ANTI-TUMOUR COMPOUND BASED ON JWA GENE ACTIVATION AND HER2 DEGRADATION, PREPARATION METHOD THEREFOR, AND USE THEREOF Simcere Pharmaceutical Co. Ltd. (CN) 2022-06-22 EP disclosed
CN-113402479-A Anti-tumor compound based on JWA gene activation and HER2 degradation, preparation method and application thereof 先声药业有限公司 2021-09-17 CN disclosed
CN-110437176-B Anti-tumor compound based on JWA gene activation and HER2 degradation, preparation method and application thereof 先声药业有限公司 2021-08-03 CN disclosed
WO-2021027045-A1 ANTI-TUMOUR COMPOUND BASED ON JWA GENE ACTIVATION AND HER2 DEGRADATION, PREPARATION METHOD THEREFOR, AND USE THEREOF 周建伟 2021-02-18 WO disclosed
US-20210047313-A1 ANTITUMOR COMPOUND FOR ACTIVATING JWA GENE AND DEGRADING HER2, PREPARATION METHOD THEREOF, AND APPLICATION THEREOF SIMCERE PHARMACEUTICAL CO., LTD. (CN) 2021-02-18 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-20210047313-A1 ANTITUMOR COMPOUND FOR ACTIVATING JWA GENE AND DEGRADING HER2, PREPARATION METHOD THEREOF, AND APPLICATION THEREOF EGFR, ERBB2, ERBB3 ALDH1A1 1994/4885HPGD 1062/4885MEN1 2781/4885

“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.