SCHEMBL19699084

SCHEMBL19699084

Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2cc(O)ncn2)[C@H]2CCCN3C2)c1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 2/20 0.37
▸ HCRTR1 O43613 4/20 0.35
▸ HCRTR2 O43614 4/20 0.35
▸ DGAT2 Q96PD7 1/20 0.34
▸ GSK3B P49841 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ PIM2 Q9P1W9 3/20 0.32
▸ PIM3 Q86V86 2/20 0.32
▸ RPS6KB1 P23443 2/20 0.32
▸ AKT1 P31749 2/20 0.32
▸ PIM1 P11309 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ ROCK2 O75116 2/20 0.31
▸ ROCK1 Q13464 2/20 0.31
▸ CDC42BPA Q5VT25 2/20 0.31
▸ CDC42BPB Q9Y5S2 2/20 0.31
▸ HDAC8 Q9BY41 1/20 0.30
▸ MAP3K12 Q12852 1/20 0.30

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
SCHEMBL17618734 0.91 FGFR4 (0.40) LRRK2HCRTR1HCRTR2DGAT2PIM2
SCHEMBL17618730 0.90 LRRK2 (0.36) LRRK2HCRTR1HCRTR2DGAT2GSK3B
SCHEMBL17618716 0.87 KMT2A (0.37) LRRK2HCRTR1HCRTR2DGAT2GSK3B
SCHEMBL17618714 0.86 PRMT5 (0.40) LRRK2HCRTR1HCRTR2DGAT2GSK3B
SCHEMBL17618723 0.84 FAAH (0.39) LRRK2HCRTR1HCRTR2DGAT2PIM2
SCHEMBL17618631 0.83 FGFR4 (0.39) HCRTR1HCRTR2DGAT2ABL1
SCHEMBL17618632 0.83 FGFR4 (0.39) GSK3BDYRK1APIM2AKT1ABL1
SCHEMBL17618718 0.82 PRMT5 (0.36) LRRK2HCRTR1HCRTR2DGAT2DYRK1A
SCHEMBL17618725 0.82 ALDH1A1 (0.43) PIM2PIM3PIM1
SCHEMBL17778903 0.82 FAAH (0.35) HCRTR1HCRTR2GSK3BDYRK1APIM1

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 3 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 LRRK2 533/4885HCRTR1 2303/4885HCRTR2 2516/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 LRRK2 533/4885HCRTR1 2303/4885HCRTR2 2516/4885

“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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