SCHEMBL19713728

SCHEMBL19713728

CC(=O)Nc1ccnc(NC(=O)N2c3nc(C(=O)NCC(F)(F)F)ccc3N3CC[C@H]2C3)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 5/20 0.36
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 3/20 0.36
▸ JAK3 P52333 2/20 0.36
▸ RAF1 P04049 2/20 0.34
▸ SCN10A Q9Y5Y9 4/20 0.34
▸ ACACB O00763 2/20 0.34
▸ BRAF P15056 2/20 0.33
▸ LOXL2 Q9Y4K0 1/20 0.33
▸ CXCR3 P49682 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ PIP5K1C O60331 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ TGFBR1 P36897 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
SCHEMBL17769938 0.88 LOXL2 (0.37) TYK2JAK2JAK1JAK3ACACB
SCHEMBL17770109 0.88 LOXL2 (0.35) TYK2JAK2JAK1JAK3SCN10A
SCHEMBL17770356 0.88 LOXL2 (0.35) TYK2JAK2JAK1JAK3SCN10A
SCHEMBL19713837 0.88 PHGDH (0.37) TYK2JAK2JAK1JAK3ACACB
SCHEMBL19713979 0.88 LOXL2 (0.34) TYK2JAK2JAK1JAK3ACACB
SCHEMBL17777125 0.87 TYK2 (0.36) TYK2JAK2JAK1SCN10AACACB
SCHEMBL19714155 0.87 TYK2 (0.36) TYK2JAK2JAK1SCN10AACACB
SCHEMBL17769919 0.87 PHGDH (0.38) TYK2JAK2JAK1JAK3ACACB
SCHEMBL19736291 0.87 SCN10A (0.36) TYK2JAK2JAK1JAK3RAF1
SCHEMBL17777019 0.87 PHGDH (0.38) TYK2JAK2JAK1JAK3ACACB

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 TYK2 2258/4885JAK2 1856/4885JAK1 2463/4885
US-20170362234-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 TYK2 2258/4885JAK2 1856/4885JAK1 2463/4885

“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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