SCHEMBL20214035

SCHEMBL20214035

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 6/20 0.41
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
KMT2A Q03164 2/20 0.38
MDM2 Q00987 1/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
NTRK1 P04629 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE2A O00408 1/20 0.36
DHODH Q02127 2/20 0.36
NR1H4 Q96RI1 1/20 0.35
MAT2A P31153 1/20 0.35
PTGS1 P23219 1/20 0.35
PTGS2 P35354 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
SCHEMBL29580015 1.00 PTGER1 (0.41) PTGER1ALDH1A1KDM4EKMT2AMDM2
SCHEMBL20213900 0.92 PTGER1 (0.39) PTGER1ALDH1A1KDM4EKMT2AMDM2
SCHEMBL29579457 0.92 PTGER1 (0.39) PTGER1ALDH1A1KDM4EKMT2AMDM2
SCHEMBL20214530 0.89 PTGER1 (0.44) PTGER1ALDH1A1KDM4EKMT2AMDM2
SCHEMBL20214550 0.89 PTGER1 (0.43) PTGER1ALDH1A1KDM4EKMT2AMDM2
SCHEMBL20214265 0.89 PTGER1 (0.43) PTGER1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL29579307 0.89 PTGER1 (0.43) PTGER1ALDH1A1KDM4EKMT2AMDM2
SCHEMBL20213956 0.87 ALDH1A1 (0.44) PTGER1ALDH1A1KDM4EKMT2AMDM2
SCHEMBL18295215 0.87 NTRK1 (0.40) PTGER1ALDH1A1KDM4EKMT2AMDM2
SCHEMBL29579461 0.87 ALDH1A1 (0.44) PTGER1ALDH1A1KDM4EKMT2AMDM2

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 PTGER1 614/4885ALDH1A1 355/4885KDM4E 3557/4885
US-20190345152-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, CCNI PTGER1 614/4885ALDH1A1 355/4885KDM4E 3557/4885
US-11192887-B2 KRAS, TP53, CCNE1 PTGER1 1070/4885ALDH1A1 207/4885KDM4E 3282/4885
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 PTGER1 980/4885ALDH1A1 335/4885KDM4E 2356/4885
US-20230076820-A1 Substituted Pyrazole Compounds and Methods of Using Them for Treatment of Hyperproliferative Diseases KRAS, TP53, NRAS PTGER1 530/4885ALDH1A1 519/4885KDM4E 3227/4885

“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.