SCHEMBL5952647

SCHEMBL5952647

COC(=O)C=Cc1nn(C(=O)OC(C)(C)C)c2cccc(F)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.37
SCN9A Q15858 4/20 0.35
SCN5A Q14524 1/20 0.34
EGFR P00533 1/20 0.33
ITK Q08881 1/20 0.33
SSTR4 P31391 1/20 0.32
PARP14 Q460N5 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32
NR1H4 Q96RI1 5/20 0.32
KDM1A O60341 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
TYR P14679 1/20 0.32
CA7 P43166 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
SCHEMBL5952641 1.00 MAP2K4 (0.37) MAP2K4SCN9ASCN5AEGFRITK
SCHEMBL5952909 0.87 IL1B (0.35) MAP2K4PARP14ALDH1A1NR1H4CA12
SCHEMBL5952907 0.87 IL1B (0.35) MAP2K4PARP14ALDH1A1NR1H4CA12
SCHEMBL16791413 0.82 MAP2K4 (0.39) MAP2K4MEN1ALDH1A1KMT2ANR1H4
SCHEMBL5951848 0.77 MAP2K4 (0.41) MAP2K4SCN9ASCN5AEGFRITK
SCHEMBL31190710 0.77 MAP2K4 (0.41) MAP2K4SCN9ASCN5AEGFRITK
SCHEMBL5485038 0.76 EPHX2 (0.35) ALDH1A1NR1H4
SCHEMBL15149187 0.76 NPC1 (0.38) MAP2K4EGFRALDH1A1CA12CA1
SCHEMBL5952034 0.74 PDE4B (0.40) MAP2K4MEN1ALDH1A1KMT2ANR1H2
SCHEMBL5952029 0.74 PDE4B (0.40) MAP2K4MEN1ALDH1A1KMT2ANR1H2

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-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (2 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 MAP2K4 252/4885SCN9A 470/4885SCN5A 1301/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAP2K4 376/4885SCN9A 431/4885SCN5A 1425/4885

“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.