SCHEMBL20213971

SCHEMBL20213971

Cc1nn(-c2nc(-c3ccc(C(F)(F)F)cc3)c(CCO)s2)c(C(=O)O)c1-c1cccc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
PTGER1 P34995 5/20 0.40
PTGDR2 Q9Y5Y4 4/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MDM2 Q00987 1/20 0.36
TP53 P04637 1/20 0.35
DHODH Q02127 1/20 0.35

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
SCHEMBL29579216 1.00 ALDH1A1 (0.45) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL29579221 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL20214105 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL29579668 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL20214519 0.90 ALDH1A1 (0.43) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL20213956 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL20214015 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL29579461 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL29580423 0.89 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL28343983 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230076820-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases BANTAM PHARMACEUTICAL, LLC 2023-03-09 US claimed
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 claimed
US-20190345152-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases BANTAM PHARMACEUTICAL, LLC 2019-11-14 US claimed
EP-3548482-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AND METHODS OF USING THEM FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES Bantam Pharmaceutical, LLC (US) 2019-10-09 EP claimed
WO-2018102453-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AND METHODS OF USING THEM FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES BANTAM PHARMACEUTICAL, LLC (US) 2018-06-07 WO claimed
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-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
US-11192887-B2 2021-12-07 US disclosed
US-20210278408-A1 METHODS OF TREATMENT OF CANCER WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS AND DIAGNOSIS OF CANCERS SUSCEPTIBLE TO TREATMENT WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS BANTAM PHARMACEUTICAL LLC (US) 2021-09-09 US disclosed
CN-112770813-A Methods of treating cancer with substituted pyrrole and pyrazole compounds and diagnosing cancer sensitive to treatment with substituted pyrrole and pyrazole compounds 班塔姆制药有限责任公司 2021-05-07 CN 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
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 (5 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 3557/4885KMT2A 2741/4885
US-20190345152-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, CCNI ALDH1A1 355/4885KDM4E 3557/4885KMT2A 2741/4885
US-11192887-B2 KRAS, TP53, CCNE1 ALDH1A1 207/4885KDM4E 3282/4885KMT2A 2702/4885
US-20210278408-A1 METHODS OF TREATMENT OF CANCER WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS AND DIAGNOSIS OF CANCERS SUSCEPTIBLE TO TREATMENT WITH SUBSTITUTED PYRROLE AND PYRAZOLE COMPOUNDS TP53, MKI67, VHL ALDH1A1 335/4885KDM4E 2356/4885KMT2A 2737/4885
US-20230076820-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, NRAS ALDH1A1 519/4885KDM4E 3227/4885KMT2A 2388/4885

“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.