SCHEMBL19361179

SCHEMBL19361179

O=C(Nc1ccccn1)N1c2nc(-c3ccnc(N4CCC(F)(F)C4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.36
▸ KARS1 Q15046 2/20 0.36
▸ MAP3K12 Q12852 8/20 0.35
▸ ACACB O00763 7/20 0.35
▸ DLK1 P80370 2/20 0.35
▸ DRG1 Q9Y295 1/20 0.35
▸ RXRA P19793 1/20 0.34

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
SCHEMBL17618647 0.90 KARS1 (0.40) KARS1MAP3K12ACACBDLK1DRG1
SCHEMBL17618649 0.90 SCD (0.37) MAP3K12ACACBDLK1DRG1
SCHEMBL17618540 0.90 VCP (0.40) CNR2MAP3K12ACACBDLK1
SCHEMBL19669052 0.88 KARS1 (0.41) KARS1RXRA
SCHEMBL17618666 0.88 KARS1 (0.41) KARS1RXRA
SCHEMBL19361174 0.86 KARS1 (0.38) KARS1MAP3K12RXRA
SCHEMBL19361177 0.86 MAP3K12 (0.37) MAP3K12ACACB
SCHEMBL19670226 0.85 CNR2 (0.38) CNR2KARS1MAP3K12DLK1DRG1
SCHEMBL19669049 0.85 ACACB (0.34) KARS1MAP3K12ACACB
SCHEMBL17618509 0.83 WNT3A (0.41) KARS1

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 CNR2 2514/4885KARS1 1760/4885MAP3K12 2105/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR2 2514/4885KARS1 1760/4885MAP3K12 2105/4885

“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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