SCHEMBL17618647

SCHEMBL17618647

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 10/20 0.40
▸ MAP3K12 Q12852 5/20 0.36
▸ MAPT P10636 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DLK1 P80370 2/20 0.34
▸ DRG1 Q9Y295 1/20 0.34
▸ ACACB O00763 3/20 0.34
▸ FAAH O00519 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
SCHEMBL19361179 0.90 CNR2 (0.36) KARS1MAP3K12DLK1DRG1ACACB
SCHEMBL17618649 0.90 SCD (0.37) MAP3K12DLK1DRG1ACACBFAAH
SCHEMBL17618521 0.89 KARS1 (0.39) KARS1MAP3K12MAPTGSK3BDLK1
SCHEMBL17618657 0.89 KARS1 (0.42) KARS1FAAH
SCHEMBL17618680 0.89 KARS1 (0.42) KARS1FAAH
SCHEMBL19669049 0.87 ACACB (0.34) KARS1MAP3K12ACACB
SCHEMBL19361176 0.86 KARS1 (0.40) KARS1MAP3K12MAPT
SCHEMBL19670360 0.85 KARS1 (0.40) KARS1MAP3K12MAPTGSK3BDLK1
SCHEMBL17618560 0.85 WNT3A (0.40) KARS1MAPTGSK3BFAAH
SCHEMBL19361177 0.85 MAP3K12 (0.37) MAP3K12ACACBFAAH

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 9 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
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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 (3 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1429/4885MAP3K12 1873/4885MAPT 303/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1760/4885MAP3K12 2105/4885MAPT 267/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KARS1 1760/4885MAP3K12 2105/4885MAPT 267/4885

“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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