SCHEMBL17768096

SCHEMBL17768096

Cc1ccc(-c2nc3c(cc2F)N2CC[C@@H](C2)N3C(=O)Nc2ccccn2)cn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.39
▸ CHRM4 P08173 1/20 0.38
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ MAP3K5 Q99683 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.36
▸ MALT1 Q9UDY8 2/20 0.36
▸ NTRK1 P04629 2/20 0.36
▸ GRM5 P41594 2/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ NPY5R Q15761 1/20 0.35
▸ BTK Q06187 1/20 0.35
▸ KIT P10721 1/20 0.35
▸ MAPK13 O15264 1/20 0.35
▸ MAPK12 P53778 1/20 0.35
▸ MAPK11 Q15759 1/20 0.35
▸ MAPK14 Q16539 1/20 0.35
▸ ABL1 P00519 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
SCHEMBL17778337 1.00 VCP (0.39) VCPCHRM4GSK3BDYRK1AMAP3K5
SCHEMBL17778763 0.92 GSK3B (0.39) VCPCHRM4GSK3BDYRK1AMAP3K5
SCHEMBL17767967 0.92 GSK3B (0.39) VCPCHRM4GSK3BDYRK1AMAP3K5
SCHEMBL17778647 0.91 GSK3B (0.38) VCPCHRM4GSK3BDYRK1ATRPV1
SCHEMBL17768123 0.91 MALT1 (0.39) GSK3BDYRK1AMALT1GRM5
SCHEMBL17767922 0.90 MAPK1 (0.38) MAP3K5MAPK13MAPK12MAPK11MAPK14
SCHEMBL17778718 0.90 MAPK1 (0.38) MAP3K5MAPK13MAPK12MAPK11MAPK14
SCHEMBL17767930 0.87 HTR2A (0.39) CHRM4
SCHEMBL17618510 0.86 PIK3CA (0.41) VCPGSK3BDYRK1ATRPV1NTRK1
SCHEMBL17778459 0.85 GSK3B (0.38) VCPGSK3BDYRK1ATRPV1NTRK1

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 5 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

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 VCP 1188/4885CHRM4 4641/4885GSK3B 2322/4885

“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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