SCHEMBL17770356

SCHEMBL17770356

O=C(NCC(F)(F)F)c1ccc2c(n1)N(C(=O)Nc1cc(Br)ccn1)[C@H]1CCN2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.35
▸ JAK3 P52333 3/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ JAK1 P23458 2/20 0.34
▸ TYK2 P29597 2/20 0.34
▸ ACACB O00763 1/20 0.32
▸ CTSS P25774 4/20 0.32
▸ CXCR3 P49682 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ NTRK1 P04629 1/20 0.31
▸ MAP4K1 Q92918 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ RIOK2 Q9BVS4 1/20 0.31
▸ LYN P07948 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ USP30 Q70CQ3 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31

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
SCHEMBL17770109 1.00 LOXL2 (0.35) LOXL2JAK3JAK2JAK1TYK2
SCHEMBL17769938 0.90 LOXL2 (0.37) LOXL2JAK3JAK2JAK1TYK2
SCHEMBL19713979 0.90 LOXL2 (0.34) LOXL2JAK3JAK2JAK1TYK2
SCHEMBL17770124 0.89 LOXL2 (0.34) LOXL2JAK3JAK2JAK1TYK2
SCHEMBL19714078 0.89 LOXL2 (0.34) LOXL2JAK3JAK2JAK1TYK2
SCHEMBL22239671 0.89 IRAK4 (0.37) IRAK4USP30
SCHEMBL17770451 0.89 IRAK4 (0.37) IRAK4USP30
SCHEMBL19713728 0.88 TYK2 (0.36) LOXL2JAK3JAK2JAK1TYK2
SCHEMBL19713837 0.88 PHGDH (0.37) JAK3JAK2JAK1TYK2ACACB
SCHEMBL20550415 0.88 JAK2 (0.35) JAK3JAK2JAK1TYK2ACACB

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 8 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 disclosed
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
EP-3221317-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2017-09-27 — — EP disclosed
WO-2016079710-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 — — WO disclosed
WO-2016079710-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 (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 LOXL2 3421/4885JAK3 3337/4885JAK2 1856/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LOXL2 3421/4885JAK3 3337/4885JAK2 1856/4885

“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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