SCHEMBL16776239

SCHEMBL16776239

COc1cc(NC(=O)N2c3nc(-c4cnccc4C)ccc3NCCC[C@H]2C)ncn1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 4/20 0.40
▸ RPS6KA2 Q15349 1/20 0.39
▸ FGFR4 P22455 1/20 0.38
▸ MAP4K1 Q92918 13/20 0.37
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ KCNH2 Q12809 1/20 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
SCHEMBL16776244 0.88 ABL1 (0.40) ABL1MAP4K1
SCHEMBL16776177 0.88 RPS6KA2 (0.40) ABL1RPS6KA2FGFR4CYP2C9ALOX5AP
SCHEMBL16776143 0.87 RPS6KA2 (0.39) ABL1RPS6KA2FGFR4CYP2C9ALOX5AP
SCHEMBL16776209 0.86 KCNH2 (0.42) ABL1RPS6KA2FGFR4CYP2C9ALOX5AP
SCHEMBL16776242 0.86 ABL1 (0.40) ABL1MAP4K1
SCHEMBL16776232 0.84 ABL1 (0.39) ABL1MAP4K1
SCHEMBL16776037 0.82 FGFR4 (0.37) ABL1RPS6KA2FGFR4CYP2C9ALOX5AP
SCHEMBL16776247 0.82 ABL1 (0.37) ABL1MAP4K1
SCHEMBL16776028 0.81 FGFR4 (0.38) ABL1RPS6KA2FGFR4CYP2C9ALOX5AP
SCHEMBL16776032 0.81 KCNH2 (0.41) ABL1RPS6KA2FGFR4CYP2C9ALOX5AP

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 4089/4885RPS6KA2 2318/4885FGFR4 1754/4885

“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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