SCHEMBL16785582

SCHEMBL16785582

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

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.37
▸ SLC5A1 P13866 8/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ KMO O15229 1/20 0.36
▸ KDM1A O60341 3/20 0.35
▸ RAF1 P04049 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ KARS1 Q15046 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA9 Q16790 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TRPV3 Q8NET8 1/20 0.35

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
SCHEMBL16776478 0.89 SCN9A (0.39) ADORA2ASLC5A1JAK2KMOKDM1A
SCHEMBL16785537 0.89 SCN9A (0.39) ADORA2ASLC5A1JAK2KMOKDM1A
SCHEMBL16785527 0.89 MC4R (0.39) ADORA2ABRAFKARS1FYNMEN1
SCHEMBL16785530 0.87 KARS1 (0.38) ADORA2ASLC5A1JAK2KMOBRAF
SCHEMBL16785531 0.87 KARS1 (0.36) ADORA2ASLC5A1JAK2KMOKARS1
SCHEMBL16776479 0.87 SLC5A1 (0.41) SLC5A1JAK2KMORAF1BRAF
SCHEMBL16776472 0.86 CA2 (0.41) ADORA2ASLC5A1JAK2KMOKDM1A
SCHEMBL16785528 0.85 KIF18A (0.38) ADORA2ASLC5A1JAK2KMOKDM1A
SCHEMBL16776296 0.85 RHOA (0.36) ADORA2ASLC5A1JAK2KMOKDM1A
SCHEMBL16775862 0.84 CNR2 (0.40) ADORA2AJAK2KMOKDM1ARAF1

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 ADORA2A 2325/4885SLC5A1 1202/4885JAK2 2392/4885

“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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