SCHEMBL21753512

SCHEMBL21753512

CC(C)n1cc(-c2ccc(F)cc2)c(=O)c(C(=O)O)n1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
ADORA2A P29274 2/20 0.37
ADORA1 P30542 2/20 0.37
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
HPGD P15428 1/20 0.35
MET P08581 1/20 0.35
AXL P30530 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ACHE P22303 1/20 0.35
CDC25A P30304 1/20 0.34
CDC25C P30307 1/20 0.34
PGR P06401 1/20 0.34
HAO2 Q9NYQ3 1/20 0.34
GRIN2B Q13224 1/20 0.33

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
SCHEMBL29902500 0.89 ADORA2A (0.42) ALDH1A1KDM4EADORA2AADORA1HPGD
SCHEMBL25035782 0.86 CYP1A2 (0.39) KMT2AALDH1A1KDM4EHSD17B10ADORA2A
SCHEMBL21753514 0.83 ADORA3 (0.51) KMT2AALDH1A1KDM4EHSD17B10ADORA2A
SCHEMBL25035751 0.82 F12 (0.35) KMT2AADORA2AADORA1ACHE
SCHEMBL23160878 0.82 CSNK1D (0.48) KMT2ABCL2L1BADMAPK14
SCHEMBL25035756 0.81 ACHE (0.39) KMT2AALDH1A1KDM4EHSD17B10RXFP1
SCHEMBL21753537 0.77 CSF1R (0.44) KMT2AALDH1A1KDM4EADORA2AADORA1
SCHEMBL21753543 0.75 CSNK1D (0.44) KMT2AALDH1A1BCL2L1BADHPGD
SCHEMBL21854207 0.74 L3MBTL1 (0.43) KMT2AALDH1A1KDM4EHSD17B10ADORA2A
SCHEMBL25035766 0.74 ALDH1A1 (0.40) KMT2AALDH1A1KDM4EHSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3842425-B1 NOVEL QUINOLINE DERIVATIVE INHIBITOR TRANSTHERA SCIENCES NANJING INC (CN) 2024-05-22 EP disclosed
CN-117624128-A Crystal form of quinoline derivative inhibitor and preparation method and application thereof 药捷安康(南京)科技股份有限公司 2024-03-01 CN disclosed
CN-117561260-A Heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-02-13 CN disclosed
WO-2023016296-A1 HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-02-16 WO disclosed
WO-2023016296-A1 HETEROCYCLIC COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF 四川科伦博泰生物医药股份有限公司 2023-02-16 WO disclosed
CN-110857293-B Novel quinoline derivative inhibitor 药捷安康(南京)科技股份有限公司 2023-01-10 CN disclosed
US-20220298146-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-09-22 US disclosed
US-20220298146-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-09-22 US disclosed
CN-112625027-B Heterocyclic derivatives and use thereof 药捷安康(南京)科技股份有限公司 2022-09-09 CN disclosed
EP-4036086-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Transthera Sciences (Nanjing), Inc. (CN) 2022-08-03 EP disclosed
US-20220073496-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-03-10 US disclosed
US-20220073496-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR TRANSTHERA SCIENCES (NANJING), INC. (CN) 2022-03-10 US disclosed
EP-3842425-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-06-30 EP disclosed
EP-3842425-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-06-30 EP disclosed
CN-112625027-A Heterocyclic derivatives and use thereof 南京药捷安康生物科技有限公司 2021-04-09 CN disclosed
WO-2021057782-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 南京药捷安康生物科技有限公司 2021-04-01 WO disclosed
WO-2021057782-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 南京药捷安康生物科技有限公司 2021-04-01 WO disclosed
CN-110857293-A Novel quinoline derivative inhibitor 南京药捷安康生物科技有限公司 2020-03-03 CN disclosed
WO-2020038460-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR 南京药捷安康生物科技有限公司 2020-02-27 WO disclosed
WO-2020038460-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR 南京药捷安康生物科技有限公司 2020-02-27 WO 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-20220073496-A1 NOVEL QUINOLINE DERIVATIVE INHIBITOR CSF1R, CSF3R, FLT3 KMT2A 1432/4885ALDH1A1 2819/4885KDM4E 2855/4885
US-20220298146-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF RET, MERTK, MIF KMT2A 2832/4885ALDH1A1 3335/4885KDM4E 1873/4885

“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.