SCHEMBL4286301

SCHEMBL4286301

COC(=O)Nc1cn2cc(Oc3ccccc3)ccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 8/20 0.56
TEK Q02763 2/20 0.56
HPGD P15428 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
AURKA O14965 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
FLT1 P17948 1/20 0.46
MAP3K5 Q99683 2/20 0.44
KDM4E B2RXH2 4/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
GRM5 P41594 1/20 0.41
MET P08581 3/20 0.40
CRHBP P24387 1/20 0.40

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
SCHEMBL3639615 0.89 KDR (0.56) KDRTEKHPGDSMN1; SMN2AURKA
SCHEMBL3642540 0.86 KDR (0.61) KDRTEKHPGDSMN1; SMN2AURKA
SCHEMBL11626695 0.79 MAPK14 (0.47) KDRTEKHPGDSMN1; SMN2MAP3K5
SCHEMBL11623640 0.78 MAP3K5 (0.42) KDRTEKHPGDSMN1; SMN2MAP3K5
SCHEMBL3150363 0.77 MAP3K5 (0.44) KDRTEKHPGDMAP3K5KDM4E
SCHEMBL1302571 0.74 MAP3K5 (0.52) HPGDSMN1; SMN2MAP3K5KDM4EALDH1A1
SCHEMBL4288107 0.74 KDR (1.00) KDRTEK
SCHEMBL14949677 0.72 KDR (0.58) KDRTEKAURKAPDGFRBKIT
SCHEMBL2392861 0.72 RAB9A (0.50) HPGDSMN1; SMN2KDM4EALDH1A1TSHR
SCHEMBL12892680 0.72 KDR (0.50) KDRAURKAPDGFRBKITFLT1

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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 US claimed
US-8304557-B2 Fused heterocycle derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-06 US disclosed
US-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-25 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-20090163488-A1 FUSED HETEROCYCLE DERIVATIVES AND USE THEREOF NOX3, NOX5, ZYX KDR 2311/4885TEK 4131/4885HPGD 4134/4885

“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.