SCHEMBL14005509

SCHEMBL14005509

CC(C)(C)c1cncc(Nc2ccc(CO)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
XDH P47989 3/20 0.43
SLC22A12 Q96S37 3/20 0.43
PDPK1 O15530 2/20 0.40
EPHX2 P34913 1/20 0.39
TRPV1 Q8NER1 1/20 0.36
BRAF P15056 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
IKBKB O14920 1/20 0.35
KDR P35968 2/20 0.34
NAMPT P43490 2/20 0.34
CDK1 P06493 1/20 0.34
TYR P14679 1/20 0.33
FLT1 P17948 1/20 0.33
AGPAT2 O15120 1/20 0.33
PDE4B Q07343 1/20 0.33

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
SCHEMBL14005520 0.88 KDR (0.45) XDHSLC22A12PDPK1KDRCDK1
SCHEMBL14005508 0.85 PLG (0.42) XDHSLC22A12BRAFKDRFLT1
SCHEMBL14005511 0.84 IKBKB (0.49) XDHSLC22A12PDPK1IKBKBKDR
SCHEMBL14068604 0.80 PDPK1 (0.42) XDHSLC22A12PDPK1BRAFNAMPT
SCHEMBL14005522 0.79 XDH (0.42) XDHSLC22A12BRAFKDRFLT1
SCHEMBL14005526 0.79 SLC22A12 (0.45) XDHSLC22A12BRAFTAS2R14
SCHEMBL14031002 0.78 XDH (0.48) XDHSLC22A12PDPK1TRPV1BRAF
SCHEMBL14005485 0.77 RAB9A (0.53) XDHSLC22A12PDPK1
SCHEMBL14005533 0.77 SIRT2 (0.49) XDHSLC22A12EPHX2KDRNAMPT
SCHEMBL22042452 0.76 PDPK1 (0.47) XDHSLC22A12PDPK1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof WYETH (US) 2008-11-27 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-20080293712-A1 Benzo[C][2,7]Naphtyridine Derivatives, Methods of Making Thereof and Methods of Use Thereof PDPK1, PDK2, PDK3 XDH 2390/4885SLC22A12 4846/4885PDPK1 1/4885

“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.