SCHEMBL17618633

SCHEMBL17618633

O=C(Nc1ccccn1)N1c2nc(-c3cncc(Cl)c3)ccc2N2CCC[C@H]1C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 3/20 0.39
▸ CNR2 P34972 2/20 0.38
▸ PIM2 Q9P1W9 3/20 0.36
▸ PIM3 Q86V86 2/20 0.36
▸ DGAT2 Q96PD7 2/20 0.36
▸ MDM2 Q00987 1/20 0.36
▸ PIM1 P11309 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ BTK Q06187 2/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.34
▸ DYRK1A Q13627 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
SCHEMBL17618539 0.95 CNR2 (0.39) GRM5CNR2MDM2CNR1HCRTR2
SCHEMBL17618642 0.91 DGAT2 (0.36) GRM5PIM2PIM3DGAT2PIM1
SCHEMBL17618686 0.90 GSK3B (0.37) GRM5PIM2PIM3DGAT2PIM1
SCHEMBL17618714 0.90 PRMT5 (0.40) GRM5PIM2PIM3DGAT2BTK
SCHEMBL17618614 0.90 CNR2 (0.49) GRM5CNR2CNR1BTKMAPT
SCHEMBL17618761 0.90 CNR2 (0.40) GRM5CNR2MDM2CNR1HCRTR2
SCHEMBL17618661 0.89 PIM3 (0.44) GRM5PIM2PIM3PIM1BTK
SCHEMBL19365637 0.89 PIM2 (0.35) GRM5PIM2PIM3DGAT2PIM1
SCHEMBL17618628 0.89 CYP3A4 (0.37) GRM5DGAT2DYRK1A
SCHEMBL16238017 0.88 TRPV1 (0.39) PIM2PIM3PIM1DYRK1A

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 8 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-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 GRM5 4062/4885CNR2 3123/4885PIM2 3491/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 GRM5 3471/4885CNR2 2514/4885PIM2 3242/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 GRM5 3471/4885CNR2 2514/4885PIM2 3242/4885

“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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