SCHEMBL16776232

SCHEMBL16776232

Cc1ccncc1-c1ccc2c(n1)N(C(=O)Nc1ccccn1)[C@H](C)CCCN2

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 7/20 0.39
▸ PTGS1 P23219 1/20 0.37
▸ PTGS2 P35354 1/20 0.37
▸ MAP4K1 Q92918 11/20 0.36

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
SCHEMBL16776242 0.92 ABL1 (0.40) ABL1MAP4K1
SCHEMBL16776244 0.91 ABL1 (0.40) ABL1MAP4K1
SCHEMBL16776247 0.89 ABL1 (0.37) ABL1MAP4K1
SCHEMBL16776249 0.86 ABL1 (0.39) ABL1
SCHEMBL16776198 0.85 GRM5 (0.39) ABL1PTGS1PTGS2
SCHEMBL16776230 0.84 PRMT5 (0.39) PTGS1PTGS2
SCHEMBL16776239 0.84 ABL1 (0.40) ABL1MAP4K1
SCHEMBL16776124 0.82 CNR2 (0.38) PTGS1PTGS2
SCHEMBL16776238 0.82 ABL1 (0.37) ABL1MAP4K1
SCHEMBL16776280 0.81 GSK3B (0.40) ABL1PTGS1PTGS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
US-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — 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 (1 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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 ABL1 4089/4885PTGS1 1022/4885PTGS2 1382/4885

“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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