SCHEMBL16776240

SCHEMBL16776240

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2cnccn2)[C@H](C)CCCN3)c1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ WNT1 P04628 2/20 0.35
▸ KARS1 Q15046 2/20 0.34
▸ PDE10A Q9Y233 1/20 0.34
▸ RAB9A P51151 3/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ PRMT5 O14744 2/20 0.33
▸ WDR77 Q9BQA1 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ DYRK1A Q13627 4/20 0.33
▸ GSK3B P49841 3/20 0.33
▸ PRKD1 Q15139 1/20 0.32
▸ CLK2 P49760 2/20 0.32
▸ CLK3 P49761 2/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MLLT1 Q03111 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
SCHEMBL16776168 0.91 DYRK1A (0.38) WNT1KARS1DYRK1AGSK3BHIF1A
SCHEMBL16776230 0.91 PRMT5 (0.39) WNT1PDE10APRMT5WDR77DYRK1A
SCHEMBL16776246 0.89 RPS6KA2 (0.35) PRMT5WDR77HDAC8DYRK1AGSK3B
SCHEMBL16776243 0.87 RPS6KA3 (0.39) WNT1RAB9ANPC1PRMT5WDR77
SCHEMBL16776143 0.86 RPS6KA2 (0.39) RAB9ANPC1PRMT5WDR77HDAC8
SCHEMBL16776050 0.86 PRMT5 (0.38) PRMT5WDR77HDAC8DYRK1AGSK3B
SCHEMBL16776059 0.85 CYP11B2 (0.37) WNT1PDE10ARAB9ANPC1GAA
SCHEMBL16776242 0.85 ABL1 (0.40) —
SCHEMBL16776154 0.84 CLK2 (0.37) WNT1PDE10ARAB9ANPC1GAA
SCHEMBL16776236 0.84 PRMT5 (0.38) PRMT5WDR77DYRK1AGSK3BCLK2

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 WNT1 3363/4885KARS1 1760/4885PDE10A 2635/4885

“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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