SCHEMBL14005502

SCHEMBL14005502

CC(C)(C)c1cncc(Nc2cccc(C(N)=O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.52
SIRT1 Q96EB6 3/20 0.52
SIRT3 Q9NTG7 3/20 0.52
EPHB2 P29323 1/20 0.47
DDR1 Q08345 1/20 0.47
DDR2 Q16832 1/20 0.47
KDR P35968 2/20 0.47
AURKA O14965 1/20 0.46
ROCK1 Q13464 1/20 0.45
AKR1C3 P42330 1/20 0.43
AKR1C2 P52895 1/20 0.43
PARP1 P09874 2/20 0.42
PARP10 Q53GL7 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PARP14 Q460N5 1/20 0.42
TYK2 P29597 1/20 0.42
PDE4D Q08499 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL14005533 0.85 SIRT2 (0.49) SIRT2SIRT1SIRT3EPHB2DDR1
SCHEMBL14068597 0.80 SIRT2 (0.56) SIRT2SIRT1SIRT3EPHB2DDR1
SCHEMBL14030219 0.79 SIRT2 (0.52) SIRT2SIRT1SIRT3ROCK1PARP1
SCHEMBL14005526 0.77 SLC22A12 (0.45) NPC1RAB9AMEN1KMT2A
SCHEMBL14005498 0.76 TAS2R14 (0.60) SIRT2SIRT1SIRT3TYK2
SCHEMBL14005511 0.76 IKBKB (0.49) SIRT2SIRT1SIRT3KDRABL1
SCHEMBL14005506 0.76 BPTF (0.43) SIRT2SIRT1SIRT3SYK
SCHEMBL14005510 0.74 NAMPT (0.63) NPC1RAB9AMEN1KMT2AKCNK9
SCHEMBL10838776 0.74 ROCK1 (0.57) SIRT2SIRT1SIRT3AURKAROCK1
SCHEMBL14005518 0.74 KIF11 (0.58) NPC1RAB9AMEN1KMT2A

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 SIRT2 1154/4885SIRT1 933/4885SIRT3 1091/4885

“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.