SCHEMBL19714141

SCHEMBL19714141

Cc1nc(NC(=O)N2c3nc(C(=O)NC4CC4)ccc3N3CC[C@H]2C3)ccc1F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.40
▸ GPR6 P46095 1/20 0.36
▸ SMPD3 Q9NY59 2/20 0.35
▸ CXCR3 P49682 1/20 0.34
▸ CCNE1 P24864 3/20 0.34
▸ CDK2 P24941 3/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ RPS6KB1 P23443 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ RBP4 P02753 1/20 0.33
▸ TTR P02766 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ HCRTR2 O43614 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.33
▸ HSD11B1 P28845 1/20 0.33

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
SCHEMBL17776962 0.87 NAMPT (0.36) GPR6RPS6KB1HCRTR1HCRTR2
SCHEMBL19714134 0.86 ACACB (0.35) GPR6GRM5
SCHEMBL19713835 0.86 ACACB (0.35) GPR6GRM5
SCHEMBL17770026 0.85 DEGS1 (0.37) CCNE1CDK2GRM5
SCHEMBL19714129 0.85 RAB9A (0.39) CXCR3HCRTR1HSD11B1
SCHEMBL17776972 0.85 RAB9A (0.39) CXCR3HCRTR1HSD11B1
SCHEMBL19714148 0.83 ACKR3 (0.34) PARP1GPR6SMPD3CXCR3CCNE1
SCHEMBL19714072 0.83 NPC1 (0.39) CXCR3
SCHEMBL19713766 0.82 RPS6KA3 (0.39) CCNE1CDK2
SCHEMBL16754448 0.81 DRD2 (0.39) GRM5HSD11B1

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
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP claimed
EP-3221317-B1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-07-22 — — EP disclosed
US-10072011-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2018-09-11 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — US disclosed
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-21 — — 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 (2 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-10072011-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 PARP1 416/4885GPR6 2859/4885SMPD3 3204/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 PARP1 416/4885GPR6 2859/4885SMPD3 3204/4885

“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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