SCHEMBL5382918

SCHEMBL5382918

CCOC(=O)Nc1nc2cc(Oc3ccc(NC(=O)Nc4cccc(SC)c4)cc3)ccc2[nH]1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.72
TEK Q02763 11/20 0.72
NTRK1 P04629 1/20 0.50
NTRK2 Q16620 1/20 0.50
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 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
SCHEMBL14375476 0.91 KDR (0.86) KDRTEKNTRK1NTRK2
SCHEMBL5402119 0.86 KDR (0.58) KDRTEKMEN1MAPTKMT2A
SCHEMBL5390357 0.86 KDR (0.68) KDRTEK
SCHEMBL5357180 0.83 KDR (0.68) KDRTEKCA12CA1CA2
SCHEMBL5347351 0.81 KDR (0.87) KDRTEK
SCHEMBL7096647 0.81 KDR (0.60) KDRTEKCA12CA1CA2
Gw673715X SCHEMBL5342162 0.80 KDR (0.86) KDRTEK
SCHEMBL11809362 0.80 LMNA (0.51) KDRTEKMEN1MAPTKMT2A
SCHEMBL5346860 0.80 KDR (0.78) KDRTEK
SCHEMBL5341929 0.80 KDR (0.78) KDRTEK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 5/4885NTRK1 596/4885
US-20040082583-A1 Chemical compounds TIE1, KDR, FLT4 KDR 2/4885TEK 5/4885NTRK1 596/4885

“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.