SCHEMBL5349903

SCHEMBL5349903

COC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cn3)ccc2[nH]1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.71
TEK Q02763 12/20 0.71
NPC1 O15118 1/20 0.59
MAPT P10636 1/20 0.59
RAF1 P04049 1/20 0.55
MAPK14 Q16539 1/20 0.54
TNNI3K Q59H18 1/20 0.54
NTRK1 P04629 1/20 0.52

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
SCHEMBL5352526 0.93 KDR (0.60) KDRTEKNPC1MAPTRAF1
SCHEMBL7013365 0.92 KDR (0.58) KDRTEKNPC1MAPTMAPK14
SCHEMBL5349168 0.91 TEK (0.79) KDRTEKRAF1
SCHEMBL5466701 0.90 KDR (0.57) KDRTEKNPC1MAPTMAPK14
SCHEMBL5357494 0.90 KDR (0.86) KDRTEKRAF1MAPK14TNNI3K
SCHEMBL5348189 0.88 TEK (0.88) KDRTEKRAF1
SCHEMBL5346551 0.87 TEK (0.74) KDRTEKRAF1NTRK1
SCHEMBL5350261 0.86 KDR (0.70) KDRTEKMAPK14TNNI3K
SCHEMBL5359767 0.85 TEK (0.83) KDRTEKRAF1
Fumaric Acid SCHEMBL5350516 0.84 TEK (0.81) KDRTEKRAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040082583-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2004-04-29 US claimed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
US-20070249600-A1 CHEMICAL COMPOUNDS CHEUNG MUI 2007-10-25 US disclosed
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-7238813-B2 Chemical compounds SMITHKLINE BEECHAM CORPORATION (US) 2007-07-03 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

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 5/4885NPC1 4097/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 KDR 2/4885TEK 5/4885NPC1 4097/4885

“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.