SCHEMBL20214040

SCHEMBL20214040

COC(=O)c1c(Br)c(OC(C)=O)nn1-c1nc(-c2ccc(C(F)(F)F)cc2)c(SC(C)C)s1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MYC P01106 2/20 0.31
WDR5 P61964 2/20 0.31
F2RL3 Q96RI0 1/20 0.30
BACE1 P56817 1/20 0.30
PTGER1 P34995 1/20 0.30

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
SCHEMBL20214527 0.93 F2RL3 (0.33) MYCWDR5F2RL3PTGER1
SCHEMBL18282149 0.89 ALDH1A1 (0.34) MYCWDR5F2RL3PTGER1
SCHEMBL20214050 0.88 KDM4E (0.35) MYCWDR5F2RL3PTGER1
SCHEMBL18282097 0.80 ALDH1A1 (0.38) MYCWDR5F2RL3
SCHEMBL18282078 0.79 ALDH1A1 (0.37) MYCWDR5PTGER1
SCHEMBL18282157 0.79 NPC1 (0.35) MYCWDR5
SCHEMBL28347246 0.78 PTGER1 (0.36) MYCWDR5PTGER1
SCHEMBL20214101 0.78 F2RL3 (0.35) MYCWDR5F2RL3PTGER1
SCHEMBL30829470 0.77 MYC (0.35) MYCWDR5F2RL3
SCHEMBL18282209 0.77 MYC (0.39) MYCWDR5

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-118930533-A Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-11-12 CN disclosed
CN-110603254-B Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2024-04-12 CN disclosed
US-20230076820-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases BANTAM PHARMACEUTICAL, LLC 2023-03-09 US disclosed
US-11325903-B2 Substituted pyrazole compounds and methods of using them for treatment of hyperproliferative diseases BANTAM PHARMACEUTICAL, LLC (US) 2022-05-10 US disclosed
US-11192887-B2 2021-12-07 US disclosed
CN-110603254-A Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases 班塔姆制药有限责任公司 2019-12-20 CN disclosed
US-20190345152-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases BANTAM PHARMACEUTICAL, LLC 2019-11-14 US disclosed
EP-3548482-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AND METHODS OF USING THEM FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES Bantam Pharmaceutical, LLC (US) 2019-10-09 EP disclosed
WO-2018102453-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AND METHODS OF USING THEM FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES BANTAM PHARMACEUTICAL, LLC (US) 2018-06-07 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 (4 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-11325903-B2 Substituted pyrazole compounds and methods of using them for treatment of hyperproliferative diseases KRAS, TP53, CCNI MYC 52/4885WDR5 3186/4885F2RL3 2726/4885
US-20190345152-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, CCNI MYC 52/4885WDR5 3186/4885F2RL3 2726/4885
US-11192887-B2 KRAS, TP53, CCNE1 MYC 47/4885WDR5 4024/4885F2RL3 3257/4885
US-20230076820-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, NRAS MYC 58/4885WDR5 2824/4885F2RL3 2036/4885

“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.