SCHEMBL17768049

SCHEMBL17768049

Cc1cc(-c2ccc3c(n2)N(C(=O)Nc2ccnc(OC[C@@H]4COC(C)(C)O4)n2)C2CCN3C2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 7/20 0.35
▸ MAPK14 Q16539 2/20 0.34
▸ CCNK O75909 1/20 0.32
▸ CDK12 Q9NYV4 1/20 0.32
▸ JAK2 O60674 2/20 0.31
▸ NTRK1 P04629 2/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ USP30 Q70CQ3 2/20 0.31
▸ TRPV1 Q8NER1 1/20 0.31
▸ ACACB O00763 1/20 0.30
▸ ABL1 P00519 1/20 0.30

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
SCHEMBL17768051 1.00 WNT3A (0.35) WNT3AMAPK14CCNKCDK12JAK2
SCHEMBL17768203 1.00 WNT3A (0.35) WNT3AMAPK14CCNKCDK12JAK2
SCHEMBL19689732 1.00 WNT3A (0.35) WNT3AMAPK14CCNKCDK12JAK2
SCHEMBL17768173 0.91 KIF18A (0.36) WNT3AMAPK14CCNKCDK12JAK2
SCHEMBL17768171 0.91 KIF18A (0.36) WNT3AMAPK14CCNKCDK12JAK2
SCHEMBL17778758 0.91 KIF18A (0.36) WNT3AMAPK14CCNKCDK12JAK2
SCHEMBL17768114 0.91 MAPK14 (0.36) WNT3AMAPK14CCNKCDK12JAK2
SCHEMBL17768233 0.91 MAPK14 (0.36) WNT3AMAPK14CCNKCDK12JAK2
SCHEMBL17778743 0.91 MAPK14 (0.36) WNT3AMAPK14CCNKCDK12JAK2
SCHEMBL19689784 0.90 WNT3A (0.35) WNT3AMAPK14CCNKCDK12JAK2

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 4 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
EP-3221316-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
WO-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO 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 WNT3A 4482/4885MAPK14 1292/4885CCNK 1038/4885

“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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