SCHEMBL19689823

SCHEMBL19689823

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cc(-c4cnc(C)o4)cn(C)c2=O)[C@H]2CCN3C2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CALCRL Q16602 13/20 0.37
▸ GSK3B P49841 5/20 0.35
▸ DYRK1A Q13627 5/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.33
▸ WNT1 P04628 1/20 0.33

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
SCHEMBL17768043 0.87 GSK3B (0.44) GSK3BDYRK1AWNT1
SCHEMBL19689740 0.87 GSK3B (0.44) GSK3BDYRK1AWNT1
SCHEMBL17768217 0.86 CALCRL (0.37) CALCRLIRAK4
SCHEMBL17768219 0.86 CALCRL (0.37) CALCRLIRAK4
SCHEMBL19689662 0.84 GSK3B (0.39) GSK3BDYRK1AIRAK4WNT1
SCHEMBL17768105 0.84 GSK3B (0.36) GSK3BDYRK1AIRAK4WNT1
SCHEMBL19706758 0.84 GSK3B (0.35) GSK3BDYRK1AIRAK4WNT1
SCHEMBL17778751 0.84 GSK3B (0.35) GSK3BDYRK1AIRAK4WNT1
SCHEMBL19714452 0.81 GSK3B (0.35) CALCRLGSK3BDYRK1AWNT1
SCHEMBL19714599 0.81 GSK3B (0.35) CALCRLGSK3BDYRK1AWNT1

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 CALCRL 4513/4885GSK3B 2322/4885DYRK1A 3048/4885

“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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