SCHEMBL20214519

SCHEMBL20214519

CNC(=O)CCc1sc(-n2nc(C)c(-c3cccc(F)c3)c2C(=O)O)nc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.39
PTGER1 P34995 3/20 0.38
LMNA P02545 2/20 0.36
ILK Q13418 1/20 0.36
THRB P10828 1/20 0.36
FFAR1 O14842 2/20 0.36
NR1H4 Q96RI1 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
MDM2 Q00987 1/20 0.35
MAT2A P31153 1/20 0.35
TP53 P04637 2/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL29579668 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL20213971 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL29579216 0.90 ALDH1A1 (0.45) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL20214200 0.89 THRB (0.44) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL29579221 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL20214105 0.88 ALDH1A1 (0.46) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL28343983 0.88 ALDH1A1 (0.41) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL30829463 0.87 PTGDR2 (0.44) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL20214496 0.87 PTGDR2 (0.44) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL20213956 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EL3MBTL1MEN1KMT2A

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 16 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
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 3557/4885L3MBTL1 135/4885
US-20190345152-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, CCNI ALDH1A1 355/4885KDM4E 3557/4885L3MBTL1 135/4885
US-11192887-B2 KRAS, TP53, CCNE1 ALDH1A1 207/4885KDM4E 3282/4885L3MBTL1 131/4885
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 2356/4885L3MBTL1 3603/4885
US-20230076820-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, NRAS ALDH1A1 519/4885KDM4E 3227/4885L3MBTL1 85/4885

“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.