SCHEMBL19706758

SCHEMBL19706758

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2nccc(-c4cnc(C)o4)n2)C2CCN3C2)ccn1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 9/20 0.35
▸ DYRK1A Q13627 9/20 0.35
▸ HRH3 Q9Y5N1 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 4/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ WNT1 P04628 2/20 0.33
▸ WNT3A P56704 1/20 0.32
▸ USP30 Q70CQ3 2/20 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
SCHEMBL17778751 1.00 GSK3B (0.35) GSK3BDYRK1AHRH3PDK1PDK2
SCHEMBL17768043 0.89 GSK3B (0.44) GSK3BDYRK1AWNT1
SCHEMBL19689740 0.89 GSK3B (0.44) GSK3BDYRK1AWNT1
SCHEMBL19689693 0.89 DYRK1A (0.34) GSK3BDYRK1APDK1PDK2PDK3
SCHEMBL17778384 0.87 L3MBTL1 (0.35) IRAK4WNT3AUSP30
SCHEMBL16754615 0.87 L3MBTL1 (0.35) IRAK4WNT3AUSP30
SCHEMBL19689662 0.87 GSK3B (0.39) GSK3BDYRK1AIRAK4WNT1WNT3A
SCHEMBL17768105 0.87 GSK3B (0.36) GSK3BDYRK1AHRH3IRAK4WNT1
SCHEMBL17778671 0.86 EGFR (0.43) DYRK1AEGFRIRAK4
SCHEMBL17770414 0.86 GSK3B (0.35) GSK3BDYRK1AEGFRWNT1

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-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 GSK3B 2322/4885DYRK1A 3048/4885HRH3 3142/4885

“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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