SCHEMBL6336629

SCHEMBL6336629

COc1cccc(Nc2ncc(-c3ccccc3)s2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.69
MAPK13 O15264 1/20 0.60
MAPK12 P53778 1/20 0.60
MAPK11 Q15759 1/20 0.60
MAPK14 Q16539 1/20 0.60
ALDH1A1 P00352 2/20 0.52
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MEN1 O00255 2/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
KMT2A Q03164 2/20 0.52
MAPT P10636 1/20 0.52
HTT P42858 1/20 0.52
KDM4E B2RXH2 1/20 0.52
PKM P14618 1/20 0.52
HPGD P15428 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
PDE4B Q07343 1/20 0.52
ABCB1 P08183 1/20 0.51

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
SCHEMBL3596386 0.86 KDR (0.72) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL6332010 0.86 KDR (0.72) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL22103768 0.85 KDR (0.57) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL6279216 0.83 CNR1 (0.62) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL3651635 0.82 KDR (1.00) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL3602543 0.82 VCP (0.58) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL4601039 0.81 MEN1 (0.54) KDRMAPK13MAPK12MAPK11MAPK14
SCHEMBL6330357 0.81 KDR (0.65) KDRALDH1A1GAASMN1; SMN2MEN1
SCHEMBL6330228 0.81 KDR (0.65) KDRALDH1A1GAASMN1; SMN2MEN1
SCHEMBL5633679 0.80 MAPK13 (0.87) MAPK13MAPK12MAPK11MAPK14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050228031-A1 Tyrosine kinase inhibitors BILODEAU MARK T 2005-10-13 US claimed
US-20050228031-A1 Tyrosine kinase inhibitors BILODEAU MARK T 2005-10-13 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 (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-20050228031-A1 Tyrosine kinase inhibitors ERBB2, TYRO3, TIE1 KDR 5/4885MAPK13 175/4885MAPK12 119/4885

“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.