SCHEMBL16776258

SCHEMBL16776258

COc1cc(NC(=O)N2c3nc(-c4cccc(C5CCCCC5)c4)ccc3NCCC[C@H]2C)ncn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.38
▸ ALOX5AP P20292 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ RPS6KA2 Q15349 1/20 0.37
▸ FAAH O00519 1/20 0.37
▸ FGFR4 P22455 1/20 0.36
▸ CSNK1D P48730 1/20 0.34
▸ CSNK1E P49674 1/20 0.34
▸ BTK Q06187 8/20 0.32
▸ CDK9 P50750 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
▸ MAPK1 P28482 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ GSK3B P49841 2/20 0.31
▸ GSK3A P49840 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ FPR2 P25090 1/20 0.30

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
SCHEMBL16776257 0.88 RPS6KA2 (0.33) RPS6KA2FAAHBTKMAPK1GSK3B
SCHEMBL16776127 0.88 RPS6KA2 (0.38) CYP2C9ALOX5APKCNH2RPS6KA2FAAH
SCHEMBL16776045 0.88 RPS6KA2 (0.38) CYP2C9ALOX5APKCNH2RPS6KA2FAAH
SCHEMBL16776177 0.87 RPS6KA2 (0.40) CYP2C9ALOX5APKCNH2RPS6KA2FAAH
SCHEMBL16775908 0.84 FAAH (0.39) CYP2C9ALOX5APKCNH2RPS6KA2FAAH
SCHEMBL16776209 0.84 KCNH2 (0.42) CYP2C9ALOX5APKCNH2RPS6KA2FAAH
SCHEMBL16776143 0.84 RPS6KA2 (0.39) CYP2C9ALOX5APKCNH2RPS6KA2FAAH
SCHEMBL16776041 0.83 FAAH (0.40) CYP2C9ALOX5APKCNH2RPS6KA2FAAH
SCHEMBL16776028 0.81 FGFR4 (0.38) CYP2C9ALOX5APKCNH2RPS6KA2FAAH
SCHEMBL16776239 0.80 ABL1 (0.40) CYP2C9ALOX5APKCNH2RPS6KA2FGFR4

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 1 patent. 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

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 CYP2C9 2535/4885ALOX5AP 3669/4885KCNH2 4052/4885

“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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