SCHEMBL17778459

SCHEMBL17778459

Cc1ccc(-c2ncc3c(n2)N(C(=O)Nc2ccccn2)[C@H]2CCN3C2)cn1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ GRM5 P41594 5/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2A P29274 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ VCP P55072 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ BTK Q06187 4/20 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
SCHEMBL20550423 0.90 BMP1 (0.38) GSK3BDYRK1AFAAHGRM5MEN1
SCHEMBL17769695 0.90 WNT3A (0.38) GSK3BDYRK1AFAAHGRM5TRPV1
SCHEMBL17778461 0.90 WNT3A (0.38) GSK3BDYRK1AFAAHGRM5TRPV1
SCHEMBL17618510 0.89 PIK3CA (0.41) GSK3BDYRK1AFAAHGRM5MEN1
SCHEMBL17778463 0.87 FAAH (0.39) GSK3BDYRK1AFAAHGRM5MEN1
SCHEMBL17778647 0.86 GSK3B (0.38) GSK3BDYRK1AFAAHGRM5TRPV1
SCHEMBL17778763 0.86 GSK3B (0.39) GSK3BDYRK1AGRM5TRPV1VCP
SCHEMBL17767967 0.86 GSK3B (0.39) GSK3BDYRK1AGRM5TRPV1VCP
SCHEMBL17778467 0.86 MTOR (0.46) FAAH
SCHEMBL17768096 0.85 VCP (0.39) GSK3BDYRK1AGRM5TRPV1VCP

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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2018-11-08 — — US disclosed
WO-2016079712-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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-20180319810-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GSK3B 2340/4885DYRK1A 2959/4885FAAH 1283/4885

“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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