SCHEMBL16776472

SCHEMBL16776472

C[C@@H]1CCNc2ccc(-c3cccc(C(F)(F)F)c3)nc2N1C(=O)Nc1ccncc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ FYN P06241 1/20 0.38
▸ CPT2 P23786 1/20 0.38
▸ CPT1A P50416 1/20 0.38
▸ CPT1B Q92523 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ JAK2 O60674 1/20 0.38
▸ SLC5A1 P13866 4/20 0.38
▸ BRAF P15056 2/20 0.38
▸ TRPV1 Q8NER1 1/20 0.37
▸ EGFR P00533 2/20 0.37
▸ FGFR1 P11362 2/20 0.37
▸ KDR P35968 2/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37
▸ ADORA2A P29274 1/20 0.37
▸ KDM1A O60341 1/20 0.37
▸ RAF1 P04049 1/20 0.36
▸ CNR1 P21554 1/20 0.36

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
SCHEMBL16776479 0.94 SLC5A1 (0.41) CA2CA9FYNKMOJAK2
SCHEMBL16776355 0.91 CA2 (0.41) CA2CA9FYNKMOJAK2
SCHEMBL16776434 0.88 PTGER3 (0.39) CA2CA9FYNSLC5A1BRAF
SCHEMBL16785534 0.87 SLC5A1 (0.43) CA2CA9FYNSLC5A1BRAF
SCHEMBL16776324 0.87 CHRM4 (0.41) CA2CA9CPT2CPT1ACPT1B
SCHEMBL16776293 0.87 CA2 (0.38) CA2CA9JAK2SLC5A1BRAF
SCHEMBL16785537 0.87 SCN9A (0.39) CA2CA9FYNKMOJAK2
SCHEMBL16776478 0.87 SCN9A (0.39) CA2CA9FYNKMOJAK2
SCHEMBL16776419 0.86 BRAF (0.40) CA2CA9FYNBRAFTRPV1
SCHEMBL16785527 0.86 MC4R (0.39) FYNBRAFADORA2A

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 CA2 4253/4885CA9 4248/4885FYN 2694/4885

“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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