SCHEMBL16776074

SCHEMBL16776074

O=C(Nc1cnccn1)N1CCCNc2ccc(-c3cccc(N4CCC(C(F)(F)F)C4)c3)nc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 4/20 0.43
▸ VCP P55072 1/20 0.35
▸ PIM2 Q9P1W9 2/20 0.34
▸ FAAH O00519 2/20 0.34
▸ SIRT2 Q8IXJ6 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ CLK2 P49760 3/20 0.33
▸ LRRK2 Q5S007 3/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ MAP3K12 Q12852 1/20 0.33
▸ PIM1 P11309 1/20 0.33
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 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
SCHEMBL16776072 0.92 VCP (0.42) KARS1VCPPIM2FAAHSIRT2
SCHEMBL16776071 0.89 VCP (0.39) KARS1VCPCLK2LRRK2
SCHEMBL16776005 0.87 KARS1 (0.50) KARS1FAAHSIRT2ABL1PRKCI
SCHEMBL16776079 0.86 SLC5A1 (0.37) KARS1VCPPIM2ABL1CLK2
SCHEMBL16776090 0.86 FGFR4 (0.40) KARS1VCPFAAHCLK2LRRK2
SCHEMBL16775818 0.83 ALOX15 (0.46) KARS1FAAHSIRT2CLK2PIM1
SCHEMBL16776027 0.83 KARS1 (0.44) KARS1FAAHSIRT2ABL1PRKCI
SCHEMBL16775959 0.82 ABL1 (0.43) FAAHSIRT2ABL1PDE10ACYP3A4
SCHEMBL16776110 0.82 KARS1 (0.39) KARS1FAAHMAP3K12
SCHEMBL17618567 0.81 KARS1 (0.41) KARS1VCPPIM2FAAHSIRT2

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 KARS1 1760/4885VCP 1270/4885PIM2 3242/4885

“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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