SCHEMBL16776272

SCHEMBL16776272

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)C2CCN3CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 3/20 0.42
▸ WDR77 Q9BQA1 3/20 0.42
▸ GSK3B P49841 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ TRPV1 Q8NER1 1/20 0.37
▸ GRM5 P41594 1/20 0.37
▸ MAP3K5 Q99683 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HCRTR1 O43613 2/20 0.35
▸ HCRTR2 O43614 2/20 0.35
▸ FAAH O00519 2/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ BTK Q06187 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ PIK3CA P42336 1/20 0.34

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
SCHEMBL17618562 0.95 PRMT5 (0.39) PRMT5WDR77GSK3BDYRK1ATRPV1
SCHEMBL16776273 0.90 FAAH (0.36) PRMT5WDR77GSK3BDYRK1AHDAC8
SCHEMBL17618714 0.90 PRMT5 (0.40) PRMT5WDR77GSK3BDYRK1AGRM5
SCHEMBL16776289 0.90 FAAH (0.35) PRMT5WDR77GSK3BDYRK1AHDAC8
SCHEMBL17618761 0.90 CNR2 (0.40) GSK3BDYRK1ATRPV1GRM5HCRTR2
SCHEMBL20633048 0.90 PRMT5 (0.39) PRMT5WDR77GSK3BDYRK1AGRM5
SCHEMBL16776286 0.90 GSK3B (0.39) GSK3BDYRK1ATRPV1MAP3K5FAAH
SCHEMBL16776256 0.90 GRM5 (0.40) GSK3BDYRK1ATRPV1GRM5MAP3K5
SCHEMBL19365399 0.86 PRMT5 (0.40) PRMT5WDR77GSK3BDYRK1AGRM5
SCHEMBL19365398 0.86 PRMT5 (0.40) PRMT5WDR77GSK3BDYRK1AGRM5

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 1434/4885GSK3B 1728/4885

“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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