SCHEMBL14005498

SCHEMBL14005498

CC(C)(C)c1cncc(Nc2ccccc2C(N)=O)c1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.60
SIRT2 Q8IXJ6 13/20 0.50
SIRT1 Q96EB6 5/20 0.49
SIRT3 Q9NTG7 1/20 0.47
TNIK Q9UKE5 1/20 0.45
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
MAPK8 P45983 1/20 0.44
MAPK10 P53779 1/20 0.44

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
SCHEMBL14005500 0.86 TAS2R14 (0.58) TAS2R14JAK2JAK1TYK2MAPK8
SCHEMBL14005497 0.80 TAS2R14 (0.51) TAS2R14SIRT2SIRT1SIRT3
SCHEMBL14005491 0.79 MAPT (0.50) TAS2R14SIRT2SIRT1SIRT3MAPK10
SCHEMBL14030188 0.79 SIRT1 (0.54) TAS2R14SIRT2SIRT1SIRT3
SCHEMBL17766595 0.77 SIRT2 (0.56) SIRT2SIRT1MAPK8MAPK10
SCHEMBL14005533 0.77 SIRT2 (0.49) SIRT2SIRT1SIRT3MAPK8
SCHEMBL14005502 0.76 SIRT2 (0.52) SIRT2SIRT1SIRT3TYK2
SCHEMBL14005531 0.76 TAS2R14 (0.49) TAS2R14SIRT2SIRT1SIRT3MAPK10
SCHEMBL14005512 0.76 TAS2R14 (0.46) TAS2R14SIRT2SIRT1SIRT3
SCHEMBL14005539 0.76 TAS2R14 (0.43) TAS2R14SIRT2SIRT1SIRT3

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 TAS2R14 4288/4885SIRT2 1154/4885SIRT1 933/4885

“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.