SCHEMBL16776279

SCHEMBL16776279

C[C@@H]1CCCNc2ccc(-c3cncc(C#N)c3)nc2N1C(=O)Nc1ccncn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ AR P10275 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.34
▸ RPS6KA2 Q15349 1/20 0.34
▸ FGFR4 P22455 3/20 0.33
▸ ABL1 P00519 3/20 0.33
▸ CTPS1 P17812 2/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ JAK3 P52333 2/20 0.32
▸ MLLT1 Q03111 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PIK3CG P48736 1/20 0.31

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
SCHEMBL16776280 0.91 GSK3B (0.40) GSK3BDYRK1AARLRRK2RPS6KA2
SCHEMBL16776246 0.90 RPS6KA2 (0.35) GSK3BDYRK1AARRPS6KA2FAAH
SCHEMBL16776188 0.87 ATR (0.42) GSK3BDYRK1ARPS6KA2FAAHJAK1
SCHEMBL16775980 0.86 GRM5 (0.39) GSK3BARLRRK2CPT1A
SCHEMBL16776046 0.85 FAAH (0.35) GSK3BDYRK1AARRPS6KA2FAAH
SCHEMBL16776261 0.84 ABL1 (0.37) GSK3BDYRK1ALRRK2ABL1CTPS1
SCHEMBL16776244 0.81 ABL1 (0.40) ABL1
SCHEMBL16776257 0.81 RPS6KA2 (0.33) GSK3BDYRK1AARLRRK2RPS6KA2
SCHEMBL16776230 0.80 PRMT5 (0.39) GSK3BDYRK1ARPS6KA2FGFR4FAAH
SCHEMBL16776240 0.79 WNT1 (0.35) GSK3BDYRK1AMLLT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 1728/4885DYRK1A 2623/4885AR 3677/4885

“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.

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