SCHEMBL16776045

SCHEMBL16776045

COc1cc(NC(=O)N2c3nc(-c4cccc(N(C)C)c4)ccc3NCCC[C@@H]2C)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA2 Q15349 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ FYN P06241 2/20 0.33
▸ HDAC8 Q9BY41 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ PDK1 Q15118 1/20 0.32
▸ PDK2 Q15119 1/20 0.32
▸ PDK3 Q15120 1/20 0.32
▸ PDK4 Q16654 1/20 0.32
▸ JAK2 O60674 1/20 0.32
▸ FLT3 P36888 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
SCHEMBL16776127 1.00 RPS6KA2 (0.38) RPS6KA2FAAHFGFR4CYP2C9ALOX5AP
SCHEMBL16776177 0.88 RPS6KA2 (0.40) RPS6KA2FAAHFGFR4CYP2C9ALOX5AP
SCHEMBL16776258 0.88 CYP2C9 (0.38) RPS6KA2FAAHFGFR4CYP2C9ALOX5AP
SCHEMBL16776123 0.86 ABL1 (0.38) RPS6KA2FAAHFYNHDAC8SMN1; SMN2
SCHEMBL16776047 0.85 KARS1 (0.36) FAAHFYNHDAC8SMN1; SMN2ABL1
SCHEMBL16776139 0.85 KARS1 (0.36) FAAHFYNHDAC8SMN1; SMN2ABL1
SCHEMBL16775908 0.85 FAAH (0.39) RPS6KA2FAAHFGFR4CYP2C9ALOX5AP
SCHEMBL16776209 0.85 KCNH2 (0.42) RPS6KA2FAAHFGFR4CYP2C9ALOX5AP
SCHEMBL16776143 0.84 RPS6KA2 (0.39) RPS6KA2FAAHFGFR4CYP2C9ALOX5AP
SCHEMBL16776041 0.84 FAAH (0.40) RPS6KA2FAAHFGFR4CYP2C9ALOX5AP

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 RPS6KA2 2318/4885FAAH 977/4885FGFR4 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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