SCHEMBL14005606

SCHEMBL14005606

C=CCOc1cncc(C(C)(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA9 Q16790 3/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAOA P21397 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL3820977 0.82 CA12 (0.44) CA12CA9CA1CA2CA7
SCHEMBL7726630 0.80 MEN1 (0.38) CA12CA9CA1CA2CA7
SCHEMBL25857376 0.79 CYP11B1 (0.43)
SCHEMBL14005150 0.75 AKT1 (0.48) SMN1; SMN2
SCHEMBL14030308 0.75 CHRNB2 (0.46) CA12CA9CA1CA2CA7
SCHEMBL3453726 0.74 CHRNB2 (0.51) CA12CA9CA1CA2CA7
SCHEMBL24768968 0.73 HDAC6 (0.33) SMN1; SMN2
SCHEMBL6232531 0.73 SMN1; SMN2 (0.50) CA12CA9CA1CA2CA7
SCHEMBL91426 0.72 CYP1A1 (0.42) CA1CA2ALDH1A1
SCHEMBL21325266 0.72 CHRNB4 (0.42)

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 CA12 4507/4885CA9 2463/4885CA1 3315/4885

“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.