SCHEMBL3094967

SCHEMBL3094967

CC(C)c1ccnc(C2CCCCC2)c1C(N)=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RET P07949 2/20 0.37
GSK3B P49841 2/20 0.35
HRH4 Q9H3N8 1/20 0.35
CDC7 O00311 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34
OPRM1 P35372 4/20 0.34
IRAK4 Q9NWZ3 2/20 0.33
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
RPS6KB1 P23443 1/20 0.33
CYP19A1 P11511 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PROKR1 Q8TCW9 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
SCHEMBL4153902 0.81 SCN10A (0.38) RETGSK3BCDC7SCN10AOPRM1
SCHEMBL27632867 0.80 GSK3B (0.37) RETGSK3BHRH4CDC7SCN10A
SCHEMBL3081871 0.79 IRAK4 (0.40) RETOPRM1IRAK4
SCHEMBL3094958 0.75 HRH4 (0.39) RETGSK3BHRH4CDC7IRAK4
SCHEMBL4601709 0.72 NTRK1 (0.38) CDC7TDP1MAPT
SCHEMBL1591434 0.72 NTRK1 (0.33) RETCDC7
SCHEMBL9208485 0.72 RPS6KB1 (0.36) CDC7OPRM1RPS6KB1KDM4EKMT2A
SCHEMBL5083527 0.72 LNPEP (0.38) IRAK4
SCHEMBL19691288 0.72 HRH4 (0.36) GSK3BHRH4CDC7SCN10AOPRM1
SCHEMBL12304132 0.71 CHRNA7 (0.44) OPRM1KDM4ESMN1; SMN2TDP1L3MBTL1

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-20100173888-A1 Nicotinamide Derivatives PFIZER INC 2010-07-08 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-20100173888-A1 Nicotinamide Derivatives NNT, NAMPT, NQO1 RET 3125/4885GSK3B 2214/4885HRH4 93/4885

“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.