SCHEMBL25432012

SCHEMBL25432012

CC(n1ncc(C#N)c1N)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
KDM4E B2RXH2 4/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.36
ABL1 P00519 1/20 0.36
KDR P35968 1/20 0.36
XDH P47989 2/20 0.35
F2 P00734 1/20 0.35
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 2/20 0.33
FNTA P49354 1/20 0.32
FNTB P49356 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
AR P10275 2/20 0.32
CDK2 P24941 1/20 0.32
LPAR1 Q92633 1/20 0.32
CSNK2A1 P68400 1/20 0.31
MAPT P10636 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
SCHEMBL25432010 1.00 KMT2A (0.42) KMT2AKDM4EMEN1PKMABL1
SCHEMBL26532904 0.83 AR (0.33) KMT2AKDM4EMEN1ALDH1A1AR
SCHEMBL55228 0.81 KDM4E (0.44) KMT2AKDM4EMEN1PKMABL1
SCHEMBL26532899 0.78 AR (0.34) ARCDK2MAPT
SCHEMBL4759855 0.78 KDM4E (0.41) KMT2AKDM4EMEN1PKMABL1
SCHEMBL4758468 0.75 KMT2A (0.43) KMT2AKDM4EMEN1XDHF2
SCHEMBL1664856 0.73 PKM (0.41) KMT2AKDM4EMEN1PKMABL1
SCHEMBL5823747 0.71 PKM (0.49) KMT2AKDM4EMEN1PKMABL1
SCHEMBL2078439 0.70 PKM (0.51) KMT2AKDM4EMEN1PKMABL1
SCHEMBL26112807 0.70 GABRP (0.32) MAPT

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 4 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
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
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 KMT2A 147/4885KDM4E 450/4885MEN1 573/4885

“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.