SCHEMBL17618333

SCHEMBL17618333

CC(C)(C)OC(=O)NCCn1cc(-c2cccc(NC(=O)N3c4nc(-c5cccc(C(F)(F)F)c5)ccc4N4CCC3CC4)c2)nn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AURKA O14965 3/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ RAF1 P04049 1/20 0.36
▸ BRAF P15056 1/20 0.36
▸ NPY2R P49146 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ GPR55 Q9Y2T6 1/20 0.36
▸ KDR P35968 2/20 0.35
▸ TEK Q02763 2/20 0.35
▸ P2RY14 Q15391 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ PAX8 Q06710 1/20 0.35
▸ TRPV4 Q9HBA0 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRB3 P13945 1/20 0.35

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
SCHEMBL17624574 0.97 MAPT (0.36) AURKAAURKBRAF1BRAFNPY2R
SCHEMBL16250004 0.93 MAPT (0.35) AURKAAURKBRAF1BRAFMAPT
SCHEMBL16754378 0.84 IDH2 (0.38) BRAFMEN1KMT2AALDH1A1MAPT
SCHEMBL19670126 0.82 IRAK1 (0.34) GPR55KDRTEKP2RY14TRPV4
SCHEMBL16249982 0.82 AURKA (0.38) AURKAAURKBNPY2RMEN1KMT2A
SCHEMBL19699091 0.82 MAPT (0.39) AURKAAURKBMEN1KMT2AALDH1A1
SCHEMBL17618888 0.81 NAMPT (0.42) NPY2RKMT2ANPC1TRPV4RORC
SCHEMBL19699081 0.79 IDH2 (0.46) NPY2RMEN1KMT2AALDH1A1MAPT
SCHEMBL17601648 0.79 IDH2 (0.36) AURKAAURKBMAPTKDRTEK
SCHEMBL17624573 0.79 MAPT (0.36) NPY2RMEN1KMT2AALDH1A1MAPT

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-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 AURKA 2147/4885AURKB 887/4885RAF1 2459/4885

“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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