SCHEMBL19361176

SCHEMBL19361176

O=C(Nc1cnccn1)N1c2nc(-c3ccnc(N4CCC(C(F)(F)F)C4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 13/20 0.40
▸ MAP3K12 Q12852 1/20 0.37
▸ SCN10A Q9Y5Y9 2/20 0.36
▸ ITGB2 P05107 1/20 0.34
▸ ICAM1 P05362 1/20 0.34
▸ ITGAL P20701 1/20 0.34
▸ PRKD1 Q15139 1/20 0.33
▸ PIM2 Q9P1W9 1/20 0.33
▸ MAPT P10636 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
SCHEMBL17618657 0.92 KARS1 (0.42) KARS1PRKD1
SCHEMBL17618680 0.92 KARS1 (0.42) KARS1PRKD1
SCHEMBL19361174 0.91 KARS1 (0.38) KARS1MAP3K12SCN10AITGB2ICAM1
SCHEMBL16238200 0.89 SCD (0.37) KARS1MAP3K12SCN10AITGB2ICAM1
SCHEMBL17618567 0.89 KARS1 (0.41) KARS1MAP3K12SCN10APIM2
SCHEMBL19361180 0.87 SCN10A (0.37) KARS1MAP3K12SCN10AITGB2ICAM1
SCHEMBL17618647 0.86 KARS1 (0.40) KARS1MAP3K12MAPT
SCHEMBL17618560 0.86 WNT3A (0.40) KARS1PRKD1MAPT
SCHEMBL16754300 0.85 PRKD1 (0.39) KARS1PRKD1
SCHEMBL19361175 0.85 ITGB2 (0.38) KARS1MAP3K12SCN10AITGB2ICAM1

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
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-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 KARS1 1760/4885MAP3K12 2105/4885SCN10A 3878/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KARS1 1760/4885MAP3K12 2105/4885SCN10A 3878/4885

“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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