SCHEMBL17768065

SCHEMBL17768065

O=C(Nc1cc(Br)ccn1)N1c2nc(-c3ccnc(C(F)(F)F)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 1/20 0.38
▸ RPS6KB1 P23443 9/20 0.37
▸ AKT1 P31749 8/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ GSK3B P49841 1/20 0.34
▸ IDH2 P48735 1/20 0.34
▸ MAP4K4 O95819 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ TRPV3 Q8NET8 1/20 0.33
▸ RAF1 P04049 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ TRPV1 Q8NER1 1/20 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
SCHEMBL17778750 1.00 NR3C2 (0.38) NR3C2RPS6KB1AKT1CYP2C19PIK3CA
SCHEMBL17618458 0.89 TRPV1 (0.41) NR3C2RPS6KB1AKT1CYP2C19PIK3CA
SCHEMBL17767957 0.88 ABL1 (0.37) GSK3B
SCHEMBL17768178 0.88 ABL1 (0.37) GSK3B
SCHEMBL17768095 0.88 ABL1 (0.37) GSK3B
SCHEMBL17618454 0.86 CYP2C19 (0.38) NR3C2RPS6KB1AKT1CYP2C19PIK3CA
SCHEMBL19689768 0.86 GSK3B (0.37) NR3C2RPS6KB1CYP2C19PIK3CAGSK3B
SCHEMBL17778891 0.86 DYRK1A (0.40) NR3C2CYP2C19PIK3CAGSK3B
SCHEMBL17778748 0.86 GSK3B (0.42) GSK3B
SCHEMBL17618449 0.85 HPGDS (0.38) RPS6KB1AKT1CYP2C19PIK3CAMAP4K4

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 NR3C2 4526/4885RPS6KB1 1088/4885AKT1 3558/4885

“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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