SCHEMBL16785641

SCHEMBL16785641

CC(C)(C)OC(=O)N1CCc2cc(NC(=O)N3CCCNc4ccc(-c5cccc(C(F)(F)F)c5)nc43)ccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 2/20 0.44
▸ JAK3 P52333 2/20 0.44
▸ PTK2 Q05397 2/20 0.44
▸ RAF1 P04049 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ NAMPT P43490 4/20 0.40
▸ CA2 P00918 1/20 0.40
▸ CA9 Q16790 1/20 0.40
▸ ESR2 Q92731 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PIK3CA P42336 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ IGF1R P08069 1/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR2C P28335 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ RXFP1 Q9HBX9 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
SCHEMBL16785656 0.88 CREBBP (0.42) CA2CA9HTR2AHTR2CCYP1A2
SCHEMBL16776328 0.86 CA2 (0.41) JAK2PTK2RAF1CA2CA9
SCHEMBL16776322 0.82 NPC1 (0.44) JAK2RAF1BRAFCA2CA9
SCHEMBL16776455 0.81 NAMPT (0.43) NAMPTCA2CA9MAPT
SCHEMBL19670268 0.80 JAK2 (0.45) JAK2JAK3PTK2RAF1BRAF
SCHEMBL16776364 0.80 CA2 (0.43) JAK2RAF1BRAFCA2CA9
SCHEMBL16776367 0.80 NPC1 (0.44) RAF1BRAFCA2CA9NPC1
SCHEMBL16776329 0.79 FYN (0.42) RAF1BRAFCA2CA9MAPT
SCHEMBL16776330 0.79 NPC1 (0.46) RAF1BRAFCA2CA9MAPT
SCHEMBL16776345 0.79 NPY5R (0.42) RAF1BRAFCA2CA9NPC1

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 JAK2 2392/4885JAK3 3700/4885PTK2 4122/4885

“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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