SCHEMBL18282002

SCHEMBL18282002

COC(=O)c1c(-c2cc(C)nc(C)c2)c(C)nn1-c1nc(-c2cccc(C)c2)c(SC(C)C)s1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.34
MAPK14 Q16539 1/20 0.34
ADORA2A P29274 1/20 0.34
FNTA P49354 3/20 0.33
FNTB P49356 3/20 0.33
MAPT P10636 3/20 0.33
CTSA P10619 4/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.31

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
SCHEMBL18282268 0.92 FNTA (0.42) TDP1ADORA2AFNTAFNTBMAPT
SCHEMBL18282084 0.92 MEN1 (0.38) TDP1ADORA2AFNTAFNTBMAPT
SCHEMBL18282152 0.92 SLC6A3 (0.34) TDP1FNTAFNTBMAPTCTSA
SCHEMBL18282223 0.91 KMO (0.35) TDP1MAPK14ADORA2AFNTAFNTB
SCHEMBL30312245 0.91 KMO (0.35) TDP1MAPK14ADORA2AFNTAFNTB
SCHEMBL18282243 0.88 MAPK14 (0.36) TDP1MAPK14ADORA2AFNTAFNTB
SCHEMBL18282045 0.87 MYC (0.36) FNTAFNTBMAPTL3MBTL1ALDH1A1
SCHEMBL18281998 0.87 XIAP (0.32) MAPT
SCHEMBL18282227 0.86 KDM4E (0.40) FNTAFNTBMAPTLMNAHSD17B10
SCHEMBL30312188 0.85 FNTA (0.47) TDP1ADORA2AFNTAFNTBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12150934-B2 Methods of using substituted pyrazole and pyrazole compounds and for treatment of hyperproliferative diseases BANTAM PHARMACEUTICAL, LLC (US) 2024-11-26 US disclosed
US-11602526-B2 Substituted pyrazole and pyrrole compounds and methods for using them for inhibition of initiation of translation and treatment of diseases and disorders relating thereto BANTAM PHARMACEUTICAL, LLC (US) 2023-03-14 US disclosed
US-20200261424-A1 Substituted Pyrazole and Pyrrole Compounds and Methods for Using Them for Inhibition of Initiation of Translation and Treatment of Diseases and Disorders Relating Thereto BANTAM PHARMACEUTICAL, LLC 2020-08-20 US disclosed
US-20200069656-A1 Methods of Using Substituted Pyrazole and Pyrazole Compounds and for Treatment of Hyperproliferative Diseases BANTAM PHARMACEUTICAL, LLC 2020-03-05 US disclosed
CN-110769823-A Methods of using substituted pyrazole and pyrrole compounds and treating hyperproliferative diseases 班塔姆制药有限责任公司 2020-02-07 CN disclosed
EP-3548024-A2 METHODS OF USING SUBSTITUTED PYRAZOLE AND PYRAZOLE COMPOUNDS AND FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES Bantam Pharmaceutical, LLC (US) 2019-10-09 EP disclosed
US-20180311218-A1 Substituted Pyrazole and Pyrrole Compounds and Methods for Using Them for Inhibition of Initiation of Translation and Treatment of Diseases and Disorders Relating Thereto EGENIX, INC. 2018-11-01 US disclosed
WO-2018102452-A2 METHODS OF USING SUBSTITUTED PYRAZOLE AND PYRAZOLE COMPOUNDS AND FOR TREATMENT OF HYPERPROLIFERATIVE DISEASES BANTAM PHARMACEUTICAL, LLC (US) 2018-06-07 WO disclosed
EP-3303332-A1 SUBSTITUTED PYRAZOLE AND PYRROLE COMPOUNDS AND METHODS FOR USING THEM FOR INHIBITION OF INITIATION OF TRANSLATION AND TREATMENT OF DISEASES AND DISORDERS RELATING THERETO Bantam Pharmaceutical, LLC (US) 2018-04-11 EP disclosed
WO-2016196644-A1 SUBSTITUTED PYRAZOLE AND PYRROLE COMPOUNDS AND METHODS FOR USING THEM FOR INHIBITION OF INITIATION OF TRANSLATION AND TREATMENT OF DISEASES AND DISORDERS RELATING THERETO BANTAM PHARMACEUTICAL, LLC (US) 2016-12-08 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-20200261424-A1 Substituted Pyrazole and Pyrrole Compounds and Methods for Using Them for Inhibition of Initiation of Translation and Treatment of Diseases and Disorders Relating Thereto EIF4A1, EIF4A3, EIF4B TDP1 748/4885MAPK14 2812/4885ADORA2A 1521/4885
US-20180311218-A1 Substituted Pyrazole and Pyrrole Compounds and Methods for Using Them for Inhibition of Initiation of Translation and Treatment of Diseases and Disorders Relating Thereto EIF4A3, EIF4A1, EIF4B TDP1 685/4885MAPK14 3468/4885ADORA2A 2513/4885
US-20200069656-A1 Methods of Using Substituted Pyrazole and Pyrazole Compounds and for Treatment of Hyperproliferative Diseases KRAS, TP53, CCNA1 TDP1 1012/4885MAPK14 2218/4885ADORA2A 2974/4885
US-12150934-B2 Methods of using substituted pyrazole and pyrazole compounds and for treatment of hyperproliferative diseases KRAS, TP53, CCNA1 TDP1 1012/4885MAPK14 2218/4885ADORA2A 2974/4885
US-11602526-B2 Substituted pyrazole and pyrrole compounds and methods for using them for inhibition of initiation of translation and treatment of diseases and disorders relating thereto EIF4A1, EIF4A3, EIF4B TDP1 748/4885MAPK14 2812/4885ADORA2A 1521/4885

“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.