SCHEMBL25438648

SCHEMBL25438648

CC(C)(C)OC(=O)NCc1ccc(C(O)=C(C#N)C#N)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.49
HDAC1 Q13547 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
EPHX2 P34913 4/20 0.46
GAA P10253 1/20 0.44
NR1H4 Q96RI1 3/20 0.44
CTSS P25774 6/20 0.43
CTSK P43235 5/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 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
SCHEMBL25439439 0.86 NAMPT (0.48) NAMPTHDAC1L3MBTL1EPHX2GAA
SCHEMBL133327 0.82 KMT2A (0.60) NAMPTHDAC1L3MBTL1EPHX2GAA
SCHEMBL3180689 0.81 L3MBTL1 (0.61) NAMPTHDAC1L3MBTL1GAACTSK
SCHEMBL8579767 0.81 NAMPT (0.46) NAMPTHDAC1L3MBTL1EPHX2GAA
SCHEMBL8220824 0.80 EPHX2 (0.60) NAMPTHDAC1L3MBTL1EPHX2GAA
SCHEMBL25337168 0.80 KMT2A (0.45) HDAC1EPHX2NR1H4HDAC6
SCHEMBL2874913 0.79 NAMPT (0.54) NAMPTHDAC1L3MBTL1EPHX2GAA
SCHEMBL8203403 0.79 NAMPT (0.54) NAMPTHDAC1L3MBTL1EPHX2GAA
SCHEMBL3274015 0.79 EPHX2 (0.58) NAMPTHDAC1L3MBTL1EPHX2GAA
SCHEMBL10165179 0.79 NAMPT (0.56) NAMPTHDAC1L3MBTL1EPHX2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322682-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPANE-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE LOXO ONCOLOGY, INC. 2023-10-12 US disclosed
US-20230322682-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPANE-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE LOXO ONCOLOGY, INC. 2023-10-12 US disclosed
US-20230322682-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPANE-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE LOXO ONCOLOGY, INC. 2023-10-12 US disclosed
EP-4211117-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPANE-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE Loxo Oncology, Inc. (US) 2023-07-19 EP disclosed
CN-116323553-A Processes and intermediates for preparing (S) -5-amino-3- (4- ((5-fluoro-2-methoxybenzamido) methyl) phenyl) -1- (1, 1-trifluoropropan-2-yl) -1H-pyrazole-4-carboxamide 罗索肿瘤学公司 2023-06-23 CN disclosed
WO-2022056100-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPANE-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE LOXO ONCOLOGY, INC. (US) 2022-03-17 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 (1 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-20230322682-A1 PROCESSES AND INTERMEDIATES FOR THE PREPARATION OF (S)-5-AMINO-3-(4-((5-FLUORO-2-METHOXYBENZAMIDO)METHYL)PHENYL)-1-(1,1,1-TRIFLUOROPROPANE-2-YL)-1H-PYRAZOLE-4-CARBOXAMIDE CYP4B1, PFAS, CYP2E1 NAMPT 1167/4885HDAC1 747/4885L3MBTL1 4224/4885

“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.