SCHEMBL19699695

SCHEMBL19699695

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2cccc4nccnc24)C2CCN3C2)ccn1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.39
▸ SMO Q99835 1/20 0.36
▸ USP30 Q70CQ3 1/20 0.35
▸ WNT3A P56704 4/20 0.35
▸ CD274 Q9NZQ7 2/20 0.35
▸ MAPT P10636 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ HIF1A Q16665 1/20 0.33
▸ IRAK4 Q9NWZ3 3/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ SMPD3 Q9NY59 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
SCHEMBL16754371 1.00 TRPV1 (0.39) TRPV1SMOUSP30WNT3ACD274
SCHEMBL16754404 0.89 WNT3A (0.34) USP30WNT3AIRAK4DYRK1A
SCHEMBL16754683 0.88 MAPT (0.38) TRPV1SMOUSP30WNT3AMAPT
SCHEMBL17618410 0.86 TRPV1 (0.42) TRPV1SMOHSD17B10
SCHEMBL17618509 0.85 WNT3A (0.41) TRPV1WNT3ADYRK1A
SCHEMBL16754671 0.85 HRH3 (0.38) USP30WNT3AHSD17B10
SCHEMBL16754667 0.84 USP30 (0.36) USP30WNT3AIRAK4
SCHEMBL16775778 0.84 EGFR (0.35) TRPV1SMOHSD17B10SMPD3
SCHEMBL16754615 0.83 L3MBTL1 (0.35) USP30WNT3AHSD17B10IRAK4
SCHEMBL17778384 0.83 L3MBTL1 (0.35) USP30WNT3AHSD17B10IRAK4

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 TRPV1 4032/4885SMO 3993/4885USP30 189/4885

“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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