SCHEMBL14005508

SCHEMBL14005508

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLG P00747 3/20 0.42
KLK1 P06870 3/20 0.42
KLK6 Q92876 3/20 0.42
KLKB1 P03952 1/20 0.42
XDH P47989 2/20 0.41
SLC22A12 Q96S37 2/20 0.41
BPTF Q12830 3/20 0.37
BRD4 O60885 2/20 0.37
F9 P00740 2/20 0.37
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
KIF11 P52732 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
TDO2 P48775 1/20 0.33
BRAF P15056 1/20 0.33
F11 P03951 1/20 0.33
F7 P08709 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC2A1 P11166 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
SCHEMBL14005506 0.87 BPTF (0.43) PLGKLK1KLK6KLKB1BPTF
SCHEMBL14005509 0.85 XDH (0.43) XDHSLC22A12BRAFFLT1KDR
SCHEMBL14005520 0.82 KDR (0.45) XDHSLC22A12HRH3FLT1KDR
SCHEMBL14005522 0.79 XDH (0.42) XDHSLC22A12KIF11TDO2BRAF
SCHEMBL14005526 0.79 SLC22A12 (0.45) XDHSLC22A12KIF11HRH3BRAF
SCHEMBL14030068 0.78 XDH (0.45) PLGKLK1KLK6XDHSLC22A12
SCHEMBL14005485 0.77 RAB9A (0.53) XDHSLC22A12KCNH2SCN5ASCN9A
SCHEMBL14005533 0.77 SIRT2 (0.49) XDHSLC22A12KDR
SCHEMBL14068603 0.76 KCNH2 (0.37) PLGKLK1KLK6XDHSLC22A12
SCHEMBL14005511 0.75 IKBKB (0.49) XDHSLC22A12KIF11HRH3FLT1

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 PLG 2813/4885KLK1 1313/4885KLK6 1533/4885

“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.