SCHEMBL572768

SCHEMBL572768

Cc1ncc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
ALDH1A1 P00352 3/20 0.51
TSHR P16473 2/20 0.51
HPGD P15428 1/20 0.51
ALOX15 P16050 1/20 0.51
HIF1A Q16665 1/20 0.51
TXNRD1 Q16881 1/20 0.51
TXNRD3 Q86VQ6 1/20 0.51
TXNRD2 Q9NNW7 1/20 0.51
KDM4E B2RXH2 1/20 0.48
GAA P10253 3/20 0.46
MAPK1 P28482 3/20 0.45
FGFR4 P22455 1/20 0.45
PTPN5 P54829 1/20 0.44
POLB P06746 1/20 0.43
MAPT P10636 6/20 0.43
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL30358860 1.00 CYP3A4 (0.51) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL4054371 0.84 GPR35 (0.44) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL11188525 0.81 ALDH1A1 (0.53) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL18665461 0.81 ALDH1A1 (0.53) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL10280706 0.79 ALDH1A1 (0.51) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL573358 0.79 ALDH1A1 (0.51) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL30788051 0.79 ALDH1A1 (0.51) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL572669 0.79 TDP1 (0.61) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL29439786 0.79 TDP1 (0.61) CYP3A4TDP1ALDH1A1TSHRHPGD
SCHEMBL2371582 0.79 ALDH1A1 (0.51) CYP3A4TDP1ALDH1A1TSHRHPGD

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260103464-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2026-04-16 US disclosed
US-12435083-B2 Cyclopropyl-(hetero)aryl-substituted ethylsulphonyl-pyridine derivatives BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2025-10-07 US disclosed
US-20250127792-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2025-04-24 US disclosed
US-20250092016-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2025-03-20 US disclosed
US-12186324-B2 Imidazopiperazine inhibitors of transcription activating proteins BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2025-01-07 US disclosed
EP-4373814-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES Novartis AG (CH) 2024-05-29 EP disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
WO-2023036934-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYLPYRIDINE DERIVATIVES BOEHRINGER INGELHEIM VETMEDICA GMBH (DE) 2023-03-16 WO disclosed
WO-2019191667-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2019-10-03 WO disclosed
US-20180022760-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2018-01-25 US disclosed
EP-3257853-A1 CONDENSED HETEROCYCLIC COMPOUND AND NOXIOUS ORGANISM CONTROL AGENT Nissan Chemical Industries, Ltd. (JP) 2017-12-20 EP disclosed
EP-2655337-B1 FUSED HETEROCYCLIC COMPOUND AND USE FOR PEST CONTROL THEREOF SUMITOMO CHEMICAL CO (JP) 2016-11-23 EP disclosed
US-8143293-B2 disease caused by c-Abl kinase, c-Kit kinase, oncogenic forms, aberrant fusion proteins and polymorphs; 1-(3-t-butylisoxazol-5-yl)-3-(2-fluoro-4-(2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yloxy)phenyl)urea DECIPHERA PHARMACEUTICALS, LLC (US) 2012-03-27 US disclosed
WO-2012019015-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF MYELOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2012-02-09 WO disclosed
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases DECIPHERA PHARMACEUTICALS, LLC 2011-08-04 US disclosed
EP-2146716-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES Deciphera Pharmaceuticals, LLC. (US) 2010-01-27 EP disclosed
WO-2008131227-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFERATIVE DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-30 WO disclosed
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES DECIPHERA PHARMACEUTICALS, LLC (US) 2008-10-23 US 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 (9 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-20180022760-A1 CONDENSED HETEROCYCLIC COMPOUNDS AND PESTICIDES HDAC3, CHRM3, NR1D2 CYP3A4 81/4885TDP1 4673/4885ALDH1A1 1228/4885
US-20250092016-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES ACE2, ACE, TMPRSS2 CYP3A4 116/4885TDP1 3482/4885ALDH1A1 3064/4885
US-20110189167-A1 Methods and Compositions for the Treatment of Myeloproliferative Diseases and other Proliferative Diseases MCL1, NRAS, ABL1 CYP3A4 4531/4885TDP1 1597/4885ALDH1A1 3395/4885
US-20250127792-A1 IMIDAZOPIPERAZINE INHIBITORS OF TRANSCRIPTION ACTIVATING PROTEINS EP300, CREBBP, RBBP7 CYP3A4 4721/4885TDP1 1351/4885ALDH1A1 3232/4885
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CYCS, CYP2E1, AHR CYP3A4 22/4885TDP1 4266/4885ALDH1A1 637/4885
US-12186324-B2 Imidazopiperazine inhibitors of transcription activating proteins EP300, CREBBP, RBBP7 CYP3A4 4721/4885TDP1 1351/4885ALDH1A1 3232/4885
US-12435083-B2 Cyclopropyl-(hetero)aryl-substituted ethylsulphonyl-pyridine derivatives CYCS, CYP2E1, CYP1A1 CYP3A4 19/4885TDP1 4126/4885ALDH1A1 512/4885
US-20260103464-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CBR3, CYCS, CBR1 CYP3A4 331/4885TDP1 4527/4885ALDH1A1 2267/4885
US-20080261965-A1 KINASE INHIBITORS USEFUL FOR THE TREATMENT OF MYLEOPROLIFIC DISEASES AND OTHER PROLIFERATIVE DISEASES KIT, PRKACA, BRAF CYP3A4 3802/4885TDP1 1772/4885ALDH1A1 2292/4885

“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.