SCHEMBL19689693

SCHEMBL19689693

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2nccc(-c4cnco4)n2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 5/20 0.34
▸ WNT1 P04628 4/20 0.34
▸ GSK3B P49841 4/20 0.34
▸ IRAK4 Q9NWZ3 6/20 0.33
▸ CLK2 P49760 1/20 0.33
▸ CLK3 P49761 1/20 0.33
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ EGFR P00533 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ USP30 Q70CQ3 2/20 0.32
▸ WNT3A P56704 1/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 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
SCHEMBL17767959 0.89 DYRK1A (0.42) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17618869 0.89 DYRK1A (0.42) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL17778751 0.89 GSK3B (0.35) DYRK1AWNT1GSK3BIRAK4PDK1
SCHEMBL19706758 0.89 GSK3B (0.35) DYRK1AWNT1GSK3BIRAK4PDK1
SCHEMBL17618870 0.87 DYRK1A (0.35) DYRK1AWNT1GSK3BIRAK4CLK2
SCHEMBL17618694 0.87 BRAF (0.41) DYRK1AWNT1GSK3BEGFRWNT3A
SCHEMBL17778675 0.87 DYRK1A (0.36) DYRK1AWNT1GSK3BCLK2CLK3
SCHEMBL16754615 0.86 L3MBTL1 (0.35) IRAK4USP30WNT3AABL1JAK3
SCHEMBL17778384 0.86 L3MBTL1 (0.35) IRAK4USP30WNT3AABL1JAK3
SCHEMBL17778671 0.85 EGFR (0.43) DYRK1AIRAK4CLK2CLK3EGFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 3048/4885WNT1 3338/4885GSK3B 2322/4885

“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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