SCHEMBL17778224

SCHEMBL17778224

Cc1cc(-c2nc3c(cc2C)N2CCC(C2)N3C(=O)Nc2ccccn2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 8/20 0.41
▸ MAPK14 Q16539 3/20 0.37
▸ MAPK1 P28482 5/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ NTRK1 P04629 2/20 0.36

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
SCHEMBL19689674 1.00 WNT3A (0.41) WNT3AMAPK14MAPK1GSK3BNTRK1
SCHEMBL17767922 0.92 MAPK1 (0.38) WNT3AMAPK14MAPK1
SCHEMBL17778718 0.92 MAPK1 (0.38) WNT3AMAPK14MAPK1
SCHEMBL17768059 0.92 WNT3A (0.36) WNT3AMAPK1NTRK1
SCHEMBL19689791 0.90 WNT3A (0.40) WNT3AMAPK1
SCHEMBL17778763 0.90 GSK3B (0.39) WNT3AGSK3BNTRK1
SCHEMBL17767967 0.90 GSK3B (0.39) WNT3AGSK3BNTRK1
SCHEMBL19706761 0.88 WNT3A (0.34) WNT3AMAPK14MAPK1NTRK1
SCHEMBL17618509 0.87 WNT3A (0.41) WNT3AGSK3B
SCHEMBL17768210 0.87 NTRK1 (0.39) WNT3AMAPK14MAPK1GSK3BNTRK1

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
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 1292/4885MAPK1 1307/4885

“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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