SCHEMBL19699707

SCHEMBL19699707

CC(C)(O)CCOc1cccc(NC(=O)N2c3nc(-c4ccnc(C(F)(F)F)c4)ccc3N3CC[C@H]2C3)n1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KIF18A Q8NI77 8/20 0.39
▸ MAP3K5 Q99683 1/20 0.34
▸ RPS6KB1 P23443 6/20 0.34
▸ AKT1 P31749 5/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.33
▸ FFAR4 Q5NUL3 3/20 0.33
▸ IDH2 P48735 1/20 0.33

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
SCHEMBL19699708 0.92 KIF18A (0.38) KIF18ARPS6KB1AKT1FFAR4IDH2
SCHEMBL17768032 0.90 KIF18A (0.40) KIF18ARPS6KB1AKT1FFAR4
SCHEMBL17768179 0.84 CA2 (0.36) KIF18ARPS6KB1IDH2
SCHEMBL19706656 0.84 CA2 (0.36) KIF18ARPS6KB1IDH2
SCHEMBL17618458 0.83 TRPV1 (0.41) RPS6KB1AKT1IDH2
SCHEMBL17618449 0.82 HPGDS (0.38) RPS6KB1AKT1
SCHEMBL19689668 0.82 GPR52 (0.41) KIF18ARPS6KB1AKT1FFAR4IDH2
SCHEMBL17768071 0.81 GPR52 (0.40) KIF18ARPS6KB1AKT1FFAR4IDH2
SCHEMBL19706665 0.81 GPR52 (0.40) KIF18ARPS6KB1AKT1FFAR4IDH2
SCHEMBL17778750 0.80 NR3C2 (0.38) RPS6KB1AKT1IDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — US disclosed
US-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2017-12-14 — — 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-20170355705-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 KIF18A 3170/4885MAP3K5 1468/4885RPS6KB1 1088/4885

“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