SCHEMBL17624496

SCHEMBL17624496

CC(C)(C)OC(=O)N1CCc2ccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CC[C@H]3C4)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAF1 P04049 1/20 0.41
▸ BRAF P15056 1/20 0.41
▸ JAK2 O60674 2/20 0.41
▸ JAK3 P52333 2/20 0.41
▸ PTK2 Q05397 2/20 0.41
▸ IGF1R P08069 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ MTOR P42345 1/20 0.39
▸ NPY2R P49146 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TRPV1 Q8NER1 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ KMT2A Q03164 1/20 0.37

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
SCHEMBL17624661 0.97 JAK2 (0.44) RAF1BRAFJAK2JAK3PTK2
SCHEMBL19670544 0.88 JAK2 (0.42) RAF1BRAFJAK2JAK3PTK2
SCHEMBL19699095 0.87 FLT3 (0.38) NPY2RCA2CA9TRPV1MEN1
SCHEMBL17624502 0.87 TRPV1 (0.42) MAPTPOLBNPY2RCA2CA9
SCHEMBL17618778 0.86 MAPT (0.41) MAPTNPY2RCA2CA9NPC1
SCHEMBL19670268 0.85 JAK2 (0.45) RAF1BRAFJAK2JAK3PTK2
SCHEMBL16250008 0.85 MAPT (0.45) JAK2JAK3PTK2MAPTPOLB
SCHEMBL16754707 0.85 MAPT (0.45) JAK2JAK3PTK2MAPTPOLB
SCHEMBL17618783 0.83 MEN1 (0.47) MAPTTRPV1MEN1ALDH1A1KMT2A
SCHEMBL17618888 0.82 NAMPT (0.42) NPY2RCA2CA9NPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9834558-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-12-05 — — US disclosed
US-9765075-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2017-09-19 — — US disclosed
US-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2016-03-24 — — 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-20160083386-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 RAF1 2459/4885BRAF 2804/4885JAK2 2409/4885

“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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