SCHEMBL16775884

SCHEMBL16775884

COc1ccc(C)nc1NC(=O)N1c2nc(-c3cccc(C(F)(F)F)c3)ccc2NCC[C@H]1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 1/20 0.37
▸ ADORA2A P29274 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PIKFYVE Q9Y2I7 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ MAPT P10636 2/20 0.35
▸ KDM1A O60341 2/20 0.35
▸ FYN P06241 1/20 0.34
▸ MAOA P21397 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA9 Q16790 1/20 0.34

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
SCHEMBL16775899 0.84 ADORA2A (0.38) ADORA2AMEN1KMT2AKDM4EUSP2
SCHEMBL16776479 0.83 SLC5A1 (0.41) MEN1KMT2ALMNAHTTSMN1; SMN2
SCHEMBL16776472 0.83 CA2 (0.41) ADORA2AKDM1AFYNCA2CA9
SCHEMBL16775863 0.82 TRPA1 (0.41) ADORA2AKDM4ESMN1; SMN2MAPTKDM1A
SCHEMBL16776478 0.81 SCN9A (0.39) ADORA2AKDM1AFYNMAOAMAOB
SCHEMBL16785537 0.81 SCN9A (0.39) ADORA2AKDM1AFYNMAOAMAOB
SCHEMBL16775999 0.81 ADORA2A (0.36) ADORA2AMEN1KMT2AKDM1AFYN
SCHEMBL16775862 0.81 CNR2 (0.40) ADORA2AMEN1KMT2AKDM1AFYN
SCHEMBL16776355 0.81 CA2 (0.41) ADORA2AKDM1AFYNMAOAMAOB
SCHEMBL16785582 0.81 ADORA2A (0.37) ADORA2AMEN1KMT2AKDM1AFYN

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 MTOR 433/4885ADORA2A 2325/4885MEN1 3676/4885

“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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