SCHEMBL16776115

SCHEMBL16776115

C[C@@H]1CCCNc2ccc(-c3cncc(S(C)(=O)=O)c3)nc2N1C(=O)Nc1cncc(F)c1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.34
▸ CLK2 P49760 7/20 0.34
▸ CLK3 P49761 6/20 0.34
▸ DYRK1A Q13627 6/20 0.34
▸ PIK3C3 Q8NEB9 1/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ PIK3CG P48736 3/20 0.33
▸ PIK3CB P42338 2/20 0.33
▸ CTPS1 P17812 2/20 0.32
▸ PIK3CD O00329 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ WNT1 P04628 1/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ CACNA1H O95180 1/20 0.32
▸ CYP11B2 P19099 1/20 0.31
▸ PLK4 O00444 1/20 0.31
▸ PAK4 O96013 1/20 0.31
▸ NTRK1 P04629 1/20 0.31
▸ TBK1 Q9UHD2 1/20 0.31

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
SCHEMBL16776120 0.90 RPS6KA3 (0.37) PIM1CLK2CLK3DYRK1APIK3C3
SCHEMBL16776236 0.89 PRMT5 (0.38) CLK2CLK3DYRK1ACYP11B2
SCHEMBL16776261 0.87 ABL1 (0.37) CLK2CLK3DYRK1ASCN10ACTPS1
SCHEMBL16776145 0.87 TRPV3 (0.35) PIM1CLK2CLK3DYRK1ASCN10A
SCHEMBL16776207 0.85 GSK3B (0.37) CLK2CLK3DYRK1A
SCHEMBL16776121 0.84 PIM1 (0.35) PIM1PIK3C3PIK3CGPIK3CBPIK3CD
SCHEMBL16775854 0.82 SLC5A1 (0.37) —
SCHEMBL16776238 0.82 ABL1 (0.37) —
SCHEMBL16776168 0.81 DYRK1A (0.38) DYRK1AWNT1
SCHEMBL16776017 0.80 GSK3B (0.38) CLK2CLK3DYRK1ACACNA1H

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 PIM1 2799/4885CLK2 712/4885CLK3 1301/4885

“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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