SCHEMBL17767933

SCHEMBL17767933

Cc1cc(-c2nc3c(cc2Br)N2CC[C@@H](C2)N3)ccn1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.36
▸ PDE10A Q9Y233 2/20 0.36
▸ MAPK1 P28482 8/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.33
▸ GRM2 Q14416 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
SCHEMBL17768024 0.89 USP30 (0.37) USP30PDE10AMAPK1HRH3GRM2
SCHEMBL19706604 0.89 USP30 (0.37) USP30PDE10AMAPK1HRH3GRM2
SCHEMBL17778635 0.87 GRM2 (0.38) USP30PDE10AMAPK1GRM2
SCHEMBL17768262 0.87 GRM2 (0.38) USP30PDE10AMAPK1GRM2
SCHEMBL17778643 0.86 PDE10A (0.34) USP30PDE10AMAPK1HRH3
SCHEMBL17778737 0.86 PDE10A (0.34) USP30PDE10AMAPK1HRH3
SCHEMBL17778700 0.84 MAPK1 (0.35) USP30PDE10AMAPK1HRH3GRM2
SCHEMBL17769292 0.83 MAPK1 (0.37) USP30PDE10AMAPK1HRH3GRM2
SCHEMBL17768048 0.81 USP30 (0.40) USP30PDE10AHRH3
SCHEMBL16754650 0.81 USP30 (0.40) USP30PDE10AHRH3

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 6 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
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 USP30 189/4885PDE10A 2233/4885MAPK1 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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