SCHEMBL19699675

SCHEMBL19699675

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cncc(-c4ncc(C)o4)c2)[C@H]2CCN3C2)ccn1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 1/20 0.34
▸ IRAK4 Q9NWZ3 7/20 0.34
▸ CLK2 P49760 2/20 0.33
▸ CLK3 P49761 2/20 0.33
▸ DYRK1A Q13627 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ WNT3A P56704 2/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ P2RY12 Q9H244 1/20 0.32
▸ GRM5 P41594 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
SCHEMBL17768105 0.88 GSK3B (0.36) IRAK4CLK2CLK3DYRK1AMAPT
SCHEMBL17770596 0.88 PRMT5 (0.38) MAPTGSK3BWNT3AHRH3GRM5
SCHEMBL16754293 0.88 PRMT5 (0.38) MAPTGSK3BWNT3AHRH3GRM5
SCHEMBL17618870 0.87 DYRK1A (0.35) IRAK4CLK2CLK3DYRK1AMAPT
SCHEMBL17767975 0.86 WNT3A (0.35) CLK2CLK3DYRK1AWNT3AHRH3
SCHEMBL17618520 0.86 USP30 (0.37) DYRK1AGSK3BWNT3AGRM5USP30
SCHEMBL16754500 0.86 IRAK4 (0.37) IRAK4WNT3AHRH3GRM5USP30
SCHEMBL17778667 0.86 DYRK1A (0.39) IRAK4CLK2CLK3DYRK1AMAPT
SCHEMBL19706754 0.86 DYRK1A (0.39) IRAK4CLK2CLK3DYRK1AMAPT
SCHEMBL17778883 0.85 DYRK1A (0.34) CLK2CLK3DYRK1AMAPTGSK3B

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-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 KIF18A 3170/4885IRAK4 2889/4885CLK2 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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