SCHEMBL17618666

SCHEMBL17618666

O=C(Nc1ccccn1)N1c2nc(-c3ccnc(N4CC[C@@H](F)C4)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KARS1 Q15046 5/20 0.41
▸ ITGB2 P05107 4/20 0.36
▸ ICAM1 P05362 4/20 0.36
▸ ITGAL P20701 4/20 0.36
▸ RXRA P19793 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.35
▸ FAAH O00519 2/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ MAP3K5 Q99683 1/20 0.34
▸ VCP P55072 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ MALT1 Q9UDY8 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
SCHEMBL19669052 1.00 KARS1 (0.41) KARS1ITGB2ICAM1ITGALRXRA
SCHEMBL19361174 0.93 KARS1 (0.38) KARS1ITGB2ICAM1ITGALRXRA
SCHEMBL17618680 0.90 KARS1 (0.42) KARS1FAAHLRRK2
SCHEMBL17618657 0.90 KARS1 (0.42) KARS1FAAHLRRK2
SCHEMBL17618679 0.89 SCD (0.38) KARS1ITGB2ICAM1ITGALFAAH
SCHEMBL17618688 0.89 SCD (0.38) KARS1ITGB2ICAM1ITGALFAAH
SCHEMBL17618553 0.89 VCP (0.43) TRPV1FAAHGSK3BDYRK1AMAP3K5
SCHEMBL17618555 0.89 VCP (0.43) TRPV1FAAHGSK3BDYRK1AMAP3K5
SCHEMBL19361179 0.88 CNR2 (0.36) KARS1RXRA
SCHEMBL19361183 0.87 KARS1 (0.35) KARS1ITGB2ICAM1ITGALLRRK2

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 1429/4885ITGB2 4542/4885ICAM1 2642/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KARS1 1760/4885ITGB2 4660/4885ICAM1 2254/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 KARS1 1760/4885ITGB2 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.

Send feedback