SCHEMBL16785528

SCHEMBL16785528

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1cccc(C2=CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 1/20 0.38
▸ KARS1 Q15046 2/20 0.35
▸ SLC5A1 P13866 7/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ IDH2 P48735 2/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ JAK2 O60674 1/20 0.33
▸ KDM1A O60341 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ EPHB4 P54760 1/20 0.33
▸ KMO O15229 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
SCHEMBL16785527 0.87 MC4R (0.39) KARS1ADORA2ADYRK1A
SCHEMBL16785530 0.86 KARS1 (0.38) KARS1SLC5A1ADORA2AJAK2KDR
SCHEMBL16785582 0.85 ADORA2A (0.37) KARS1SLC5A1ADORA2AJAK2KDM1A
SCHEMBL16785531 0.85 KARS1 (0.36) KARS1SLC5A1IDH2ADORA2AJAK2
SCHEMBL16776296 0.84 RHOA (0.36) KARS1SLC5A1ADORA2AJAK2KDM1A
SCHEMBL16785537 0.84 SCN9A (0.39) KARS1SLC5A1ADORA2AJAK2KDM1A
SCHEMBL16776478 0.84 SCN9A (0.39) KARS1SLC5A1ADORA2AJAK2KDM1A
SCHEMBL16776479 0.82 SLC5A1 (0.41) SLC5A1JAK2EPHB4KMO
SCHEMBL16776472 0.81 CA2 (0.41) SLC5A1ADORA2AJAK2KDM1AKDR
SCHEMBL16775862 0.81 CNR2 (0.40) ADORA2AJAK2KDM1AKMO

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 KIF18A 2813/4885KARS1 1760/4885SLC5A1 1202/4885

“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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