SCHEMBL17618539

SCHEMBL17618539

O=C(Nc1ccccn1)N1c2nc(-c3cncc(Cl)c3)ccc2N2CC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.39
▸ HCRTR2 O43614 1/20 0.37
▸ MDM2 Q00987 1/20 0.37
▸ GRM5 P41594 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GSK3B P49841 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ CNR1 P21554 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ ABL1 P00519 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ FAAH O00519 1/20 0.34
▸ PDE4A P27815 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ FNTA P49354 1/20 0.34
▸ FNTB P49356 1/20 0.34
▸ VCP P55072 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
SCHEMBL17618633 0.95 GRM5 (0.39) CNR2HCRTR2MDM2GRM5GSK3B
SCHEMBL17618761 0.95 CNR2 (0.40) CNR2HCRTR2MDM2GRM5ALDH1A1
SCHEMBL17618561 0.91 CNR2 (0.41) CNR2GRM5ALDH1A1IRAK4CNR1
SCHEMBL17618551 0.91 MAPT (0.36) GRM5GSK3BMAPTABL1FAAH
SCHEMBL17618605 0.90 GSK3B (0.38) GSK3BDYRK1AABL1TRPV1FAAH
SCHEMBL17618562 0.90 PRMT5 (0.39) GRM5GSK3BDYRK1ATRPV1FAAH
SCHEMBL17618526 0.90 FAAH (0.35) GSK3BMAPTIRAK4ABL1FAAH
SCHEMBL16238427 0.90 CNR2 (0.51) CNR2GRM5ALDH1A1FAAHPDE4A
SCHEMBL17618604 0.89 FAAH (0.37) GRM5GSK3BIRAK4DYRK1ATRPV1
SCHEMBL19699060 0.88 ABL1 (0.38) CNR2MAPTIRAK4ABL1PDE4A

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 CNR2 3123/4885HCRTR2 3066/4885MDM2 957/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CNR2 2514/4885HCRTR2 2516/4885MDM2 890/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CNR2 2514/4885HCRTR2 2516/4885MDM2 890/4885

“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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