SCHEMBL17778647

SCHEMBL17778647

Cc1ccc(-c2nc3c(cc2Br)N2CC[C@@H](C2)N3C(=O)Nc2ccccn2)cn1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ FAAH O00519 1/20 0.36
▸ GRM5 P41594 7/20 0.35
▸ VCP P55072 1/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ CHRM4 P08173 1/20 0.34
▸ KIT P10721 1/20 0.34
▸ ABL1 P00519 2/20 0.34
▸ MALT1 Q9UDY8 2/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL17778763 0.92 GSK3B (0.39) GSK3BDYRK1AGRM5VCPNTRK1
SCHEMBL17767967 0.92 GSK3B (0.39) GSK3BDYRK1AGRM5VCPNTRK1
SCHEMBL17778337 0.91 VCP (0.39) GSK3BDYRK1AGRM5VCPNTRK1
SCHEMBL17768096 0.91 VCP (0.39) GSK3BDYRK1AGRM5VCPNTRK1
SCHEMBL17768059 0.90 WNT3A (0.36) FAAHGRM5NTRK1ABL1
SCHEMBL17768123 0.90 MALT1 (0.39) GSK3BDYRK1AGRM5MALT1
SCHEMBL17767932 0.87 HTR2A (0.45) FAAH
SCHEMBL17778459 0.86 GSK3B (0.38) GSK3BDYRK1AFAAHGRM5VCP
SCHEMBL17618510 0.85 PIK3CA (0.41) GSK3BDYRK1AFAAHGRM5VCP
SCHEMBL17778224 0.82 WNT3A (0.41) GSK3BNTRK1

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
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
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 GSK3B 2322/4885DYRK1A 3048/4885FAAH 1077/4885

“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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