SCHEMBL16776050

SCHEMBL16776050

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)[C@H](C)CCN3)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 3/20 0.38
▸ WDR77 Q9BQA1 3/20 0.38
▸ GRM5 P41594 5/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ GSK3B P49841 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ RPS6KA2 Q15349 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ NTRK1 P04629 1/20 0.34
▸ NTRK3 Q16288 1/20 0.34
▸ PIM1 P11309 1/20 0.33
▸ PIM3 Q86V86 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ ATR Q13535 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
SCHEMBL16776230 0.95 PRMT5 (0.39) PRMT5WDR77GRM5PTGS1PTGS2
SCHEMBL16776046 0.90 FAAH (0.35) PRMT5WDR77GSK3BDYRK1ARPS6KA2
SCHEMBL16776048 0.88 ABL1 (0.35) GRM5FGFR4ABL1
SCHEMBL16776477 0.88 PTGS1 (0.40) PTGS1PTGS2GSK3BFAAHNTRK1
SCHEMBL16776014 0.87 GRM5 (0.40) GRM5PTGS1PTGS2GSK3BDYRK1A
SCHEMBL16776240 0.86 WNT1 (0.35) PRMT5WDR77GSK3BDYRK1AHDAC8
SCHEMBL16776037 0.85 FGFR4 (0.37) GSK3BDYRK1ARPS6KA2FAAHHDAC8
SCHEMBL16776246 0.85 RPS6KA2 (0.35) PRMT5WDR77GSK3BDYRK1ARPS6KA2
SCHEMBL16776124 0.85 CNR2 (0.38) GRM5PTGS1PTGS2GSK3BDYRK1A
SCHEMBL16776280 0.85 GSK3B (0.40) PTGS1PTGS2GSK3BDYRK1ARPS6KA2

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-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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