SCHEMBL22994348

SCHEMBL22994348

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 11/20 0.49
HPGD P15428 11/20 0.49
MAPT P10636 10/20 0.49
LMNA P02545 10/20 0.49
RAB9A P51151 6/20 0.49
SMN1; SMN2 Q16637 6/20 0.49
NPC1 O15118 5/20 0.49
MAPK1 P28482 2/20 0.49
AGTR1 P30556 1/20 0.49
KDM4E B2RXH2 8/20 0.48
TDP1 Q9NUW8 6/20 0.48
HSD17B10 Q99714 5/20 0.48
TP53 P04637 5/20 0.48
USP2 O75604 4/20 0.48
ALOX15 P16050 2/20 0.48
GLA P06280 1/20 0.48
MEN1 O00255 11/20 0.48
KMT2A Q03164 11/20 0.48
GAA P10253 6/20 0.48
DUSP3 P51452 5/20 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
SCHEMBL30960486 1.00 ALDH1A1 (0.49) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL30960488 0.88 MEN1 (0.62) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL22994352 0.88 MEN1 (0.62) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL30960491 0.86 ALDH1A1 (0.63) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL22994342 0.86 ALDH1A1 (0.63) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL22994344 0.83 MEN1 (0.52) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL30960485 0.83 MEN1 (0.52) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL2138195 0.73 MAPT (0.61) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL22978670 0.72 MEN1 (0.74) ALDH1A1HPGDMAPTLMNARAB9A
SCHEMBL22994346 0.72 ALDH1A1 (0.74) ALDH1A1HPGDMAPTLMNARAB9A

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 1062/4885MAPT 4856/4885

“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.