SCHEMBL18282149

SCHEMBL18282149

COC(=O)c1c(Br)c(C)nn1-c1nc(-c2ccc(C(F)(F)F)cc2)c(SC(C)C)s1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
NPC1 O15118 2/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 4/20 0.33
MYC P01106 2/20 0.33
WDR5 P61964 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPT P10636 2/20 0.33
DHODH Q02127 1/20 0.33
HSP90AA1 P07900 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
PPARD Q03181 4/20 0.33
PPARA Q07869 3/20 0.33
SIRT5 Q9NXA8 1/20 0.33
F2RL3 Q96RI0 1/20 0.32
SLC34A1 Q06495 1/20 0.32
FFAR1 O14842 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL20214050 0.92 KDM4E (0.35) ALDH1A1NPC1GAAKDM4EMYC
SCHEMBL20214527 0.91 F2RL3 (0.33) ALDH1A1GAAKDM4EMYCWDR5
SCHEMBL18282097 0.90 ALDH1A1 (0.38) ALDH1A1MYCWDR5MAPTPPARD
SCHEMBL18282078 0.90 ALDH1A1 (0.37) ALDH1A1NPC1GAAKDM4EMYC
SCHEMBL20214040 0.89 MYC (0.31) MYCWDR5F2RL3PTGER1
SCHEMBL18282195 0.88 ALDH1A1 (0.39) ALDH1A1NPC1GAAKDM4EMYC
SCHEMBL18282209 0.88 MYC (0.39) ALDH1A1NPC1KDM4EMYCWDR5
SCHEMBL18282170 0.88 MEN1 (0.41) ALDH1A1NPC1KDM4EMEN1KMT2A
SCHEMBL18282066 0.87 MYC (0.38) ALDH1A1NPC1GAAKDM4EMYC
SCHEMBL18282157 0.87 NPC1 (0.35) ALDH1A1NPC1GAAKDM4EMYC

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 ALDH1A1 3399/4885NPC1 4050/4885GAA 3657/4885
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 ALDH1A1 2335/4885NPC1 4643/4885GAA 3544/4885
US-20200069656-A1 Methods of Using Substituted Pyrazole and Pyrazole Compounds and for Treatment of Hyperproliferative Diseases KRAS, TP53, CCNA1 ALDH1A1 480/4885NPC1 4164/4885GAA 2623/4885
US-12150934-B2 Methods of using substituted pyrazole and pyrazole compounds and for treatment of hyperproliferative diseases KRAS, TP53, CCNA1 ALDH1A1 480/4885NPC1 4164/4885GAA 2623/4885
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 ALDH1A1 3399/4885NPC1 4050/4885GAA 3657/4885

“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.