SCHEMBL16776207

SCHEMBL16776207

Cc1ccc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@H](C)CCCN3)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 4/20 0.37
▸ MAPT P10636 2/20 0.37
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ DYRK1A Q13627 5/20 0.35
▸ CLK2 P49760 3/20 0.35
▸ CLK3 P49761 3/20 0.35
▸ KIT P10721 2/20 0.34
▸ ABL1 P00519 3/20 0.33
▸ NPY5R Q15761 1/20 0.33
▸ PRMT5 O14744 2/20 0.33
▸ WDR77 Q9BQA1 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ MLLT1 Q03111 1/20 0.32

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
SCHEMBL16776017 0.95 GSK3B (0.38) GSK3BMAPTKCNH2HRH3DYRK1A
SCHEMBL16776236 0.89 PRMT5 (0.38) GSK3BDYRK1ACLK2CLK3PRMT5
SCHEMBL16776261 0.86 ABL1 (0.37) GSK3BDYRK1ACLK2CLK3ABL1
SCHEMBL16776145 0.86 TRPV3 (0.35) DYRK1ACLK2CLK3
SCHEMBL16776238 0.85 ABL1 (0.37) ABL1PRMT5WDR77
SCHEMBL16776115 0.85 PIM1 (0.34) DYRK1ACLK2CLK3
SCHEMBL16776054 0.84 PRMT5 (0.35) GSK3BDYRK1AKITPRMT5WDR77
SCHEMBL16775854 0.84 SLC5A1 (0.37) MAPT
SCHEMBL19365369 0.82 GSK3B (0.38) GSK3BMAPTKCNH2HRH3DYRK1A
SCHEMBL16776198 0.82 GRM5 (0.39) GSK3BKCNH2HRH3DYRK1AABL1

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 GSK3B 1728/4885MAPT 267/4885KCNH2 4052/4885

“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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