SCHEMBL19361180

SCHEMBL19361180

O=C(Nc1cncc(F)c1)N1c2nc(-c3ccnc(N4CCC(C(F)(F)F)C4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 3/20 0.37
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ ABL1 P00519 12/20 0.33
▸ KARS1 Q15046 1/20 0.33
▸ MAP3K12 Q12852 1/20 0.33
▸ CLK2 P49760 2/20 0.32
▸ LRRK2 Q5S007 2/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SCN5A Q14524 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
SCHEMBL17618681 0.93 KARS1 (0.35) ITGB2ICAM1ITGALABL1KARS1
SCHEMBL17618689 0.93 KARS1 (0.35) ITGB2ICAM1ITGALABL1KARS1
SCHEMBL16238200 0.88 SCD (0.37) SCN10AITGB2ICAM1ITGALKARS1
SCHEMBL17618571 0.88 PIM2 (0.33) SCN10AABL1CLK2LRRK2SCN5A
SCHEMBL19670010 0.87 CLK2 (0.34) SCN10AITGB2ICAM1ITGALABL1
SCHEMBL19361176 0.87 KARS1 (0.40) SCN10AITGB2ICAM1ITGALKARS1
SCHEMBL19669049 0.86 ACACB (0.34) SCN10AABL1KARS1MAP3K12
SCHEMBL17618520 0.86 USP30 (0.37) ABL1
SCHEMBL19361174 0.85 KARS1 (0.38) SCN10AITGB2ICAM1ITGALKARS1
SCHEMBL17624461 0.84 TRPV3 (0.40) SCN10AABL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 SCN10A 3878/4885ITGB2 4660/4885ICAM1 2254/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 SCN10A 3878/4885ITGB2 4660/4885ICAM1 2254/4885

“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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