SCHEMBL25907635

SCHEMBL25907635

NC(C(=O)O)c1cc(F)ccc1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.50
CES1 P23141 4/20 0.50
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 1/20 0.47
GRM1 Q13255 4/20 0.42
TDP1 Q9NUW8 2/20 0.42
KEAP1 Q14145 1/20 0.40
CA3 P07451 1/20 0.39
CA6 P23280 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
CA5B Q9Y2D0 1/20 0.39
SLC1A1 P43005 2/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38

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
SCHEMBL1115280 0.85 CES2 (0.50) CES2CES1MEN1KMT2ACYP1A2
SCHEMBL29571616 0.85 CES2 (0.50) CES2CES1MEN1KMT2ACYP1A2
SCHEMBL18360859 0.83 MEN1 (0.50) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL18361419 0.83 MEN1 (0.50) MEN1KMT2ACYP1A2CYP3A4GRM1
Hydrochloric Acid SCHEMBL20491499 0.83 CES2 (0.49) CES2CES1MEN1KMT2ACYP1A2
SCHEMBL9004079 0.83 MEN1 (0.64) MEN1KMT2ACYP1A2CYP3A4GRM1
SCHEMBL9004077 0.83 MEN1 (0.64) MEN1KMT2ACYP1A2CYP3A4GRM1
Hydrochloric Acid SCHEMBL23148270 0.81 MEN1 (0.49) CES2CES1MEN1KMT2ACYP1A2
Hydrochloric Acid SCHEMBL23148269 0.81 MEN1 (0.49) CES2CES1MEN1KMT2ACYP1A2
SCHEMBL17847415 0.81 DGAT1 (0.44) MEN1KMT2ACYP1A2CYP3A4GRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115551859-B Aza condensed ring amide compound and application thereof 石药集团中奇制药技术(石家庄)有限公司 2024-08-27 CN disclosed
CN-115160311-B Difunctional compound for EGFR degradation and application thereof 北京康辰药业股份有限公司 2024-03-15 CN disclosed
US-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD (CN) 2023-07-20 US disclosed
US-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD (CN) 2023-07-20 US disclosed
US-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF CSPC ZHONGQI PHARMACEUTICAL TECHNOLOGY (SHIJIAZHUANG) CO., LTD (CN) 2023-07-20 US disclosed
WO-2023083362-A1 DRUG FOR TREATING TUMORS 石药集团中奇制药技术(石家庄)有限公司 2023-05-19 WO disclosed
CN-116115618-A Medicine for treating tumor 石药集团中奇制药技术(石家庄)有限公司 2023-05-16 CN disclosed
EP-4151635-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF CSPC Zhongqi Pharmaceutical Technology (Shijiazhuang) Co., Ltd. (CN) 2023-03-22 EP disclosed
CN-115551859-A Aza condensed ring amide compound and application thereof 石药集团中奇制药技术(石家庄)有限公司 2022-12-30 CN 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-20230227460-A1 FUSED AZA-HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF ROS1, ALK, ROR1 CES2 4179/4885CES1 2267/4885MEN1 1895/4885

“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.