SCHEMBL17618565

SCHEMBL17618565

O=C(Nc1ccccn1)N1c2nc(-c3ccc(F)c(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 7/20 0.43
▸ CNR2 P34972 2/20 0.39
▸ FAAH O00519 1/20 0.38
▸ KMO O15229 1/20 0.38
▸ BTK Q06187 1/20 0.37
▸ CNR1 P21554 1/20 0.36
▸ MPL P40238 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ MAP3K5 Q99683 1/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ GRM5 P41594 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL17618577 0.94 RAB9A (0.40) CNR2FAAHKMOBTKCNR1
SCHEMBL16238427 0.90 CNR2 (0.51) MALT1CNR2FAAHGRM5ALDH1A1
SCHEMBL17618561 0.90 CNR2 (0.41) MALT1CNR2FAAHCNR1TRPV1
SCHEMBL17618584 0.89 CHRM4 (0.41) MALT1FAAHGSK3BDYRK1AMAP3K5
SCHEMBL17618388 0.88 VCP (0.43) CNR2FAAHKMOTRPV1
SCHEMBL17618594 0.88 FAAH (0.43) FAAHGSK3BDYRK1AMAP3K5TRPV1
SCHEMBL19361197 0.87 FAAH (0.43) FAAHTRPV1GRM5
SCHEMBL17618539 0.87 CNR2 (0.39) CNR2FAAHCNR1GSK3BDYRK1A
SCHEMBL19365401 0.86 MALT1 (0.40) MALT1CNR2FAAHKMOBTK
SCHEMBL19365400 0.86 MALT1 (0.40) MALT1CNR2FAAHKMOBTK

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 MALT1 4571/4885CNR2 3123/4885FAAH 1092/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 MALT1 4474/4885CNR2 2514/4885FAAH 977/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MALT1 4474/4885CNR2 2514/4885FAAH 977/4885

“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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