SCHEMBL17618730

SCHEMBL17618730

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2ccncn2)[C@H]2CCCN3C2)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.36
▸ PIM2 Q9P1W9 3/20 0.35
▸ HCRTR1 O43613 3/20 0.35
▸ HCRTR2 O43614 3/20 0.35
▸ PIM3 Q86V86 2/20 0.35
▸ DGAT2 Q96PD7 1/20 0.34
▸ FAAH O00519 2/20 0.34
▸ PRMT5 O14744 2/20 0.33
▸ WDR77 Q9BQA1 2/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ GSK3B P49841 2/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ PIM1 P11309 2/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ DYRK1A Q13627 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
SCHEMBL17618714 0.90 PRMT5 (0.40) LRRK2PIM2HCRTR1HCRTR2PIM3
SCHEMBL16776289 0.90 FAAH (0.35) HCRTR1HCRTR2FAAHPRMT5WDR77
SCHEMBL19699084 0.90 LRRK2 (0.37) LRRK2PIM2HCRTR1HCRTR2PIM3
SCHEMBL17618716 0.89 KMT2A (0.37) LRRK2PIM2HCRTR1HCRTR2PIM3
SCHEMBL17618610 0.89 PIK3C3 (0.38) PIM2PIM3DGAT2FAAHPIM1
SCHEMBL19365551 0.89 PIM2 (0.34) PIM2PIM3FAAHGSK3BRPS6KB1
SCHEMBL17618692 0.89 PIM2 (0.36) PIM2PIM3FAAHRPS6KB1AKT1
SCHEMBL17618675 0.88 PIM3 (0.46) LRRK2PIM2PIM3FAAHPIM1
SCHEMBL19365550 0.88 PIM2 (0.37) PIM2PIM3FAAHRPS6KB1AKT1
SCHEMBL17618755 0.88 GSK3B (0.38) PIM2PIM3DGAT2GSK3BDYRK1A

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 LRRK2 657/4885PIM2 3491/4885HCRTR1 2630/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LRRK2 533/4885PIM2 3242/4885HCRTR1 2303/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 LRRK2 533/4885PIM2 3242/4885HCRTR1 2303/4885

“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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