SCHEMBL5345014

SCHEMBL5345014

COC(=O)Nc1nc2cc(Sc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)ccc2[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 9/20 0.67
TEK Q02763 8/20 0.67
LMNA P02545 3/20 0.57
CYP1A2 P05177 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NR1I2 O75469 1/20 0.57
MAPK14 Q16539 1/20 0.57
MMP1 P03956 1/20 0.53
NTRK1 P04629 1/20 0.47
NTRK2 Q16620 1/20 0.47
RAF1 P04049 1/20 0.47
BRAF P15056 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL14375458 0.93 KDR (0.75) KDRTEKLMNACYP1A2MEN1
SCHEMBL5345392 0.87 KDR (0.68) KDRTEKLMNACYP1A2MEN1
SCHEMBL5344391 0.86 TEK (0.68) KDRTEKLMNACYP1A2MEN1
SCHEMBL5348784 0.86 KDR (0.67) KDRTEKLMNACYP1A2MEN1
SCHEMBL5351011 0.86 KDR (0.86) KDRTEKRAF1
SCHEMBL5345802 0.83 LMNA (0.57) KDRTEKLMNACYP1A2MEN1
SCHEMBL5344982 0.83 KDR (0.78) KDRTEKRAF1BRAF
Fenbendazole SCHEMBL31547342 0.81 LMNA (0.82) KDRTEKLMNACYP1A2MEN1
Fenbendazole SCHEMBL31547327 0.81 LMNA (0.82) KDRTEKLMNACYP1A2MEN1
Fenbendazole SCHEMBL166352 0.81 LMNA (0.82) KDRTEKLMNACYP1A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US claimed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 US claimed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP claimed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 WO claimed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 US disclosed
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 US disclosed
EP-1341771-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2003-09-10 EP disclosed
WO-2002044156-A2 BENZIMIDAZOLE DERIVATIVES USEFUL AS TIE-2 AND/OR VEGFR-2 INHIBITORS GLAXO GROUP LIMITED (GB) 2002-06-06 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-20070249600-A1 CHEMICAL COMPOUNDS TIE1, KDR, FLT4 KDR 2/4885TEK 5/4885LMNA 2801/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 KDR 2/4885TEK 5/4885LMNA 2801/4885

“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.