SCHEMBL16776230

SCHEMBL16776230

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H](C)CCCN3)c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 3/20 0.39
▸ WDR77 Q9BQA1 3/20 0.39
▸ GRM5 P41594 4/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ DYRK1A Q13627 2/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ FGFR4 P22455 1/20 0.34
▸ RPS6KA3 P51812 1/20 0.34
▸ RPS6KA2 Q15349 1/20 0.34
▸ BTK Q06187 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ WNT1 P04628 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL16776050 0.95 PRMT5 (0.38) PRMT5WDR77GRM5PTGS1PTGS2
SCHEMBL16776240 0.91 WNT1 (0.35) PRMT5WDR77DYRK1AGSK3BPDE10A
SCHEMBL16776246 0.90 RPS6KA2 (0.35) PRMT5WDR77DYRK1AGSK3BRPS6KA2
SCHEMBL16776124 0.90 CNR2 (0.38) GRM5PTGS1PTGS2DYRK1AGSK3B
SCHEMBL16776280 0.90 GSK3B (0.40) PTGS1PTGS2DYRK1AGSK3BRPS6KA3
SCHEMBL16776198 0.87 GRM5 (0.39) GRM5PTGS1PTGS2DYRK1AGSK3B
SCHEMBL16776243 0.86 RPS6KA3 (0.39) PRMT5WDR77DYRK1ARPS6KA3RPS6KA2
SCHEMBL16776143 0.86 RPS6KA2 (0.39) PRMT5WDR77FGFR4RPS6KA2FAAH
SCHEMBL16776073 0.85 FGFR4 (0.44) PRMT5WDR77GRM5DYRK1AGSK3B
SCHEMBL16776046 0.85 FAAH (0.35) PRMT5WDR77DYRK1AGSK3BRPS6KA2

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 PRMT5 209/4885WDR77 1434/4885GRM5 3471/4885

“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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