SCHEMBL19365570

SCHEMBL19365570

CC(C)(C)OC(=O)NCCNC(=N)c1ccc(NC(=O)N2c3nc(-c4cccc(C(F)(F)F)c4)ccc3N3CCC[C@@H]2C3)cc1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ IDH2 P48735 4/20 0.36
▸ IRAK1 P51617 1/20 0.35
▸ RORC P51449 5/20 0.35
▸ NPY2R P49146 1/20 0.34
▸ RAF1 P04049 3/20 0.34
▸ BRAF P15056 3/20 0.34
▸ SCN9A Q15858 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ ALOX15 P16050 1/20 0.34
▸ TSHR P16473 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ PTPRB P23467 1/20 0.34
▸ KIF11 P52732 1/20 0.34

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
SCHEMBL17618886 1.00 CA2 (0.37) CA2CA9IDH2IRAK1RORC
SCHEMBL19670369 0.90 NAMPT (0.41) CA2CA9IDH2IRAK1RORC
SCHEMBL19669054 0.90 NAMPT (0.41) CA2CA9IDH2IRAK1RORC
SCHEMBL17618887 0.90 CA2 (0.38) CA2CA9IDH2KDM4EUSP2
SCHEMBL19365807 0.90 CA2 (0.38) CA2CA9IDH2KDM4EUSP2
SCHEMBL16250024 0.90 NAMPT (0.41) CA2CA9IDH2IRAK1RORC
SCHEMBL19670349 0.90 CA2 (0.38) CA2CA9IDH2KDM4EUSP2
Hydrochloric Acid SCHEMBL17770586 0.87 NAMPT (0.39) CA2CA9IRAK1RORCSCN9A
SCHEMBL17618888 0.85 NAMPT (0.42) CA2CA9RORCNPY2RSCN9A
SCHEMBL20632518 0.85 IDH2 (0.35) CA2CA9IDH2IRAK1RAF1

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-10590135-B2 Substituted bridged urea analogs as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2020-03-17 — — US disclosed
US-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2017-12-14 — — 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20170355697-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885IDH2 34/4885
US-10590135-B2 Substituted bridged urea analogs as sirtuin modulators SIRT1, SIRT3, SIRT2 CA2 4253/4885CA9 4248/4885IDH2 34/4885

“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.

Send feedback