SCHEMBL17618740

SCHEMBL17618740

N#Cc1cncc(-c2ccc3c(n2)N(C(=O)Nc2cncc(F)c2)[C@H]2CCCN3C2)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 13/20 0.38
▸ SCN10A Q9Y5Y9 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.37
▸ DYRK1A Q13627 2/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CYP11B1 P15538 1/20 0.34
▸ CYP11B2 P19099 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ HRH3 Q9Y5N1 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
SCHEMBL17618516 0.92 LRRK2 (0.40) DGAT2HSD11B1
SCHEMBL19365378 0.92 LRRK2 (0.40) DGAT2HSD11B1
SCHEMBL17618585 0.92 LRRK2 (0.40) DGAT2HSD11B1
SCHEMBL17618718 0.88 PRMT5 (0.36) SCN10ADGAT2DYRK1ACLK2CLK3
SCHEMBL17618482 0.88 HDAC2 (0.39) ABL1HSD11B1
SCHEMBL17618674 0.87 PIM2 (0.43) ABL1
SCHEMBL19365348 0.87 PIM2 (0.34) ABL1DGAT2DYRK1ACLK2CLK3
SCHEMBL17618636 0.87 SCN10A (0.39) ABL1SCN10ADYRK1ACLK2CLK3
SCHEMBL19706070 0.86 LRRK2 (0.38) HSD11B1
SCHEMBL19365349 0.86 CDK9 (0.35) ABL1DYRK1ACLK2CLK3

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-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 (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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 3987/4885SCN10A 3357/4885DGAT2 1022/4885
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885SCN10A 3878/4885DGAT2 1047/4885

“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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