SCHEMBL19364853

SCHEMBL19364853

C[C@@H]1CCN(C)c2ccc(-c3cccc(N4CC[C@@H](F)C4)c3)nc2N1C(=O)Nc1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 3/20 0.41
▸ PDE10A Q9Y233 1/20 0.35
▸ FAAH O00519 3/20 0.34
▸ PRKCA P17252 1/20 0.34
▸ PRKCQ Q04759 1/20 0.34
▸ DHFR P00374 1/20 0.33
▸ GSK3B P49841 4/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ SIRT2 Q8IXJ6 1/20 0.33
▸ VCP P55072 1/20 0.33
▸ PRKCI P41743 1/20 0.33
▸ MMP2 P08253 1/20 0.32
▸ ADAMTS5 Q9UNA0 1/20 0.32
▸ HIF1A Q16665 1/20 0.32
▸ CARM1 Q86X55 1/20 0.32
▸ PRMT6 Q96LA8 1/20 0.32
▸ PRMT8 Q9NR22 1/20 0.32
▸ RET P07949 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ CSNK1A1 P48729 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
SCHEMBL19365526 1.00 KARS1 (0.41) KARS1PDE10AFAAHPRKCAPRKCQ
SCHEMBL19365437 0.93 KARS1 (0.41) KARS1FAAHDHFRGSK3BDYRK1A
SCHEMBL19365436 0.91 VCP (0.41) KARS1PDE10AFAAHPRKCAPRKCQ
SCHEMBL19365434 0.91 VCP (0.41) KARS1PDE10AFAAHPRKCAPRKCQ
SCHEMBL19365269 0.91 KARS1 (0.45) KARS1FAAHPRKCAPRKCQDHFR
SCHEMBL19365387 0.88 VCP (0.35) PDE10APRKCAPRKCQVCPKDR
SCHEMBL19365287 0.88 VCP (0.35) PDE10APRKCAPRKCQVCPKDR
SCHEMBL19365380 0.88 KARS1 (0.39) KARS1FAAHDHFRGSK3BDYRK1A
SCHEMBL19670159 0.87 KARS1 (0.40) KARS1PDE10AFAAHPRKCAPRKCQ
SCHEMBL17618546 0.86 KARS1 (0.41) KARS1PDE10AFAAHPRKCAPRKCQ

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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC (US) 2018-02-15 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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-20180044338-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1429/4885PDE10A 2840/4885FAAH 1092/4885

“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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