SCHEMBL19689790

SCHEMBL19689790

Cc1cc(-c2cc(C)c3c(n2)N(C(=O)Nc2cc(-c4cnn(C)c4)ccn2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 18/20 0.42
▸ GSK3B P49841 17/20 0.42
▸ CLK2 P49760 3/20 0.42
▸ WNT1 P04628 10/20 0.41
▸ CLK3 P49761 2/20 0.41
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ ABL1 P00519 1/20 0.40

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
SCHEMBL17778914 0.88 DYRK1A (0.43) DYRK1AGSK3BCLK2WNT1CLK3
SCHEMBL19689684 0.88 IRAK4 (0.36) DYRK1AIRAK4ABL1
SCHEMBL19689679 0.87 ABL1 (0.36) IRAK4ABL1
SCHEMBL19689690 0.82 GRM5 (0.41) ABL1
SCHEMBL17778649 0.82 GRM5 (0.41) ABL1
SCHEMBL17778672 0.79 DYRK1A (0.40) DYRK1AGSK3BCLK2WNT1ABL1
SCHEMBL17778667 0.79 DYRK1A (0.39) DYRK1AGSK3BCLK2WNT1CLK3
SCHEMBL19706754 0.79 DYRK1A (0.39) DYRK1AGSK3BCLK2WNT1CLK3
SCHEMBL17618695 0.79 BTK (0.39) CLK2
SCHEMBL16776487 0.79 GSK3B (0.41) DYRK1AGSK3BABL1

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 3048/4885GSK3B 2322/4885CLK2 806/4885

“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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