SCHEMBL19689791

SCHEMBL19689791

Cc1cc(-c2nc3c(cc2C#N)N2CC[C@@H](C2)N3C(=O)Nc2ccccn2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 6/20 0.40
▸ CHRM4 P08173 1/20 0.38
▸ AR P10275 1/20 0.38
▸ USP30 Q70CQ3 5/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ JAK2 O60674 1/20 0.35
▸ JAK1 P23458 1/20 0.35
▸ JAK3 P52333 1/20 0.35
▸ GRM5 P41594 1/20 0.35

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
SCHEMBL17778224 0.90 WNT3A (0.41) WNT3AMAPK1
SCHEMBL19689674 0.90 WNT3A (0.41) WNT3AMAPK1
SCHEMBL17767922 0.90 MAPK1 (0.38) WNT3AUSP30MAPK1
SCHEMBL17778718 0.90 MAPK1 (0.38) WNT3AUSP30MAPK1
SCHEMBL17768059 0.89 WNT3A (0.36) WNT3AMAPK1GRM5
SCHEMBL19699691 0.86 WNT3A (0.41) WNT3ACHRM4ARUSP30MAPK1
SCHEMBL19706761 0.85 WNT3A (0.34) WNT3AMAPK1
SCHEMBL17618509 0.84 WNT3A (0.41) WNT3AGRM5
SCHEMBL17768210 0.84 NTRK1 (0.39) WNT3AMAPK1GRM5
SCHEMBL17769695 0.84 WNT3A (0.38) WNT3AMAPK1GRM5

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 WNT3A 4482/4885CHRM4 4641/4885AR 3546/4885

“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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