SCHEMBL19669951

SCHEMBL19669951

N#Cc1cncc(-c2ccc(N)c(N(C(=O)Nc3cncc(F)c3)C3CCCCC3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 7/20 0.36
▸ HDAC2 Q92769 2/20 0.35
▸ ABL1 P00519 5/20 0.33
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ GSK3B P49841 1/20 0.33
▸ DYRK1A Q13627 1/20 0.33
▸ CPT1A P50416 1/20 0.33
▸ MAP4K4 O95819 1/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ CTPS1 P17812 1/20 0.32

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
SCHEMBL19365379 0.92 HDAC2 (0.44) MCHR1HDAC2
SCHEMBL19670240 0.87 PRMT5 (0.37) HDAC2MAP4K4
SCHEMBL19365429 0.87 POLB (0.36) MCHR1HDAC2SCN10AMAP4K4CYP11B2
SCHEMBL19365728 0.86 HDAC2 (0.43) HDAC2ABL1DYRK1A
SCHEMBL19365727 0.85 ATM (0.37) MCHR1ABL1
SCHEMBL19365702 0.85 SCN10A (0.34) HDAC2SCN10ADYRK1AMAP4K4CTPS1
SCHEMBL19670535 0.84 GSK3B (0.38) MCHR1HDAC2GSK3BDYRK1ACPT1A
SCHEMBL19365331 0.83 HDAC2 (0.37) HDAC2ABL1GSK3BMAP4K4
SCHEMBL19670520 0.83 CPT1A (0.37) MCHR1HDAC2GSK3BDYRK1ACPT1A
SCHEMBL19706241 0.82 HDAC2 (0.35) MCHR1HDAC2GSK3BDYRK1ACPT1A

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-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — 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 MCHR1 4256/4885HDAC2 50/4885ABL1 4089/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 MCHR1 4256/4885HDAC2 50/4885ABL1 4089/4885

“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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