SCHEMBL10000201

SCHEMBL10000201

c1ccc2c(Nc3ccc(Oc4ccc(Nc5ncnc6ccccc56)cc4)cc3)ncnc2c1

nearest known ligand 0.94

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.94
TEK Q02763 1/20 0.94
NPC1 O15118 4/20 0.76
RAB9A P51151 4/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
HTT P42858 2/20 0.76
EGFR P00533 8/20 0.73
ABCG2 Q9UNQ0 5/20 0.73
AURKB Q96GD4 3/20 0.73
CLK4 Q9HAZ1 3/20 0.73
ERBB2 P04626 2/20 0.73
MAP4K4 O95819 2/20 0.73
LTK P29376 2/20 0.73
MAPK8 P45983 2/20 0.73
LIMK1 P53667 2/20 0.73
ACVR1 Q04771 2/20 0.73
DYRK1A Q13627 2/20 0.73
MAPK14 Q16539 2/20 0.73
LRRK2 Q5S007 2/20 0.73
DYRK1B Q9Y463 2/20 0.73

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
SCHEMBL5568872 0.97 KDR (1.00) KDRTEKNPC1RAB9ASMN1; SMN2
SCHEMBL30017084 0.97 KDR (1.00) KDRTEKNPC1RAB9ASMN1; SMN2
SCHEMBL30017298 0.93 KDR (0.82) KDRTEKNPC1RAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL8808147 0.92 KDR (0.80) KDRTEKNPC1RAB9ASMN1; SMN2
SCHEMBL30017472 0.89 KDR (0.76) KDRTEKNPC1RAB9ASMN1; SMN2
SCHEMBL22137832 0.89 KDR (0.76) KDRTEKNPC1RAB9ASMN1; SMN2
SCHEMBL30017482 0.89 KDR (0.75) KDRTEKNPC1RAB9ASMN1; SMN2
SCHEMBL30017767 0.88 KDR (0.78) KDRTEKNPC1RAB9ASMN1; SMN2
SCHEMBL3401165 0.88 NPC1 (0.97) KDRTEKNPC1RAB9ASMN1; SMN2
SCHEMBL30017359 0.86 KDR (0.71) KDRTEKNPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518965-B2 Compositions and methods for treating cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-08-27 US disclosed
US-8518965-B2 Compositions and methods for treating cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2013-08-27 US disclosed
US-20120165365-A1 Compositions and Methods for Treating Cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-06-28 US disclosed
US-20120165365-A1 Compositions and Methods for Treating Cancer TRUSTEES OF DARTMOUTH COLLEGE (US) 2012-06-28 US disclosed
WO-2011016952-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER TRUSTEES OF DARTMOUTH COLLEGE (US) 2011-02-10 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-20120165365-A1 Compositions and Methods for Treating Cancer MKI67, DCX, NES KDR 2824/4885TEK 1710/4885NPC1 1376/4885

“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.