SCHEMBL14005506

SCHEMBL14005506

CC(C)(C)c1cncc(Nc2cccc(CN)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BPTF Q12830 1/20 0.43
KIF11 P52732 1/20 0.40
SIRT2 Q8IXJ6 1/20 0.38
SIRT1 Q96EB6 1/20 0.38
SIRT3 Q9NTG7 1/20 0.38
CFD P00746 2/20 0.38
BRD4 O60885 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
SYK P43405 1/20 0.37
HTR6 P50406 1/20 0.37
PDE4B Q07343 1/20 0.36
PTGS1 P23219 1/20 0.36
PTGS2 P35354 1/20 0.36
MAPK14 Q16539 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
IKBKB O14920 1/20 0.35
PLG P00747 1/20 0.34
KLKB1 P03952 1/20 0.34
KLK1 P06870 1/20 0.34
KLK6 Q92876 1/20 0.34

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
SCHEMBL14005508 0.87 PLG (0.42) BPTFKIF11BRD4HRH3PLG
SCHEMBL14005511 0.86 IKBKB (0.49) KIF11SIRT2SIRT1SIRT3HRH3
SCHEMBL14030989 0.81 BPTF (0.45) BPTFKIF11CFDBRD4SYK
SCHEMBL14005526 0.79 SLC22A12 (0.45) KIF11HRH3PTGS1PTGS2
SCHEMBL27903338 0.76 HTR6 (0.53) BPTFCFDBRD4SYKHTR6
SCHEMBL14005518 0.76 KIF11 (0.58) KIF11
SCHEMBL14005484 0.76 MEN1 (0.51) SYKPTGS1PTGS2
SCHEMBL14005502 0.76 SIRT2 (0.52) SIRT2SIRT1SIRT3SYK
SCHEMBL14005539 0.75 TAS2R14 (0.43) BPTFSIRT2SIRT1SIRT3HRH3
SCHEMBL14005509 0.72 XDH (0.43) PDE4BIKBKB

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 BPTF 2097/4885KIF11 4465/4885SIRT2 1154/4885

“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.