SCHEMBL20214285

SCHEMBL20214285

COC(=O)c1c(-c2cccc(F)c2)c(C)nn1-c1nc(-c2ccc(C(F)(F)F)cc2)c(CCC(=O)OC(C)(C)C)s1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.35
MAPT P10636 6/20 0.34
LMNA P02545 2/20 0.34
TP53 P04637 2/20 0.34
GAA P10253 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAP2K4 P45985 1/20 0.33
DHODH Q02127 1/20 0.33
PTGER1 P34995 1/20 0.33
TRPA1 O75762 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 1/20 0.32

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
SCHEMBL28343983 0.94 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL20214496 0.91 PTGDR2 (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL30829463 0.91 PTGDR2 (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL29579668 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL20214519 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL20214017 0.83 KDM4E (0.33) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL21542457 0.83 KDM4E (0.33) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL29579216 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL20213971 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL20214200 0.82 THRB (0.44) ALDH1A1KDM4EMEN1KMT2AL3MBTL1

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 ALDH1A1 355/4885KDM4E 3557/4885MEN1 2106/4885
US-20190345152-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, CCNI ALDH1A1 355/4885KDM4E 3557/4885MEN1 2106/4885
US-11192887-B2 KRAS, TP53, CCNE1 ALDH1A1 207/4885KDM4E 3282/4885MEN1 2605/4885
US-20230076820-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, NRAS ALDH1A1 519/4885KDM4E 3227/4885MEN1 2280/4885

“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.