SCHEMBL16775880

SCHEMBL16775880

O=C(Nc1ccnc(OC[C@H](O)CO)c1)N1CCCNc2ccc(-c3cccc(F)c3)nc21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA3 P51812 3/20 0.35
▸ RPS6KA2 Q15349 1/20 0.35
▸ EGFR P00533 1/20 0.34
▸ KMO O15229 1/20 0.33
▸ FAAH O00519 1/20 0.33
▸ F10 P00742 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ GSK3B P49841 2/20 0.32
▸ CSNK1E P49674 1/20 0.32
▸ TRPV3 Q8NET8 1/20 0.32
▸ WNT3A P56704 2/20 0.32
▸ CDK9 P50750 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CNR1 P21554 1/20 0.31

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
SCHEMBL16775873 0.92 CA9 (0.39) RPS6KA3RPS6KA2KMOFAAH
SCHEMBL16775872 0.87 PIK3CA (0.33) RPS6KA3EGFRKMOFAAHCSNK1E
SCHEMBL16775871 0.86 EGFR (0.33) RPS6KA3RPS6KA2EGFRKMOTRPV3
SCHEMBL16775870 0.79 GRM5 (0.39) RPS6KA3RPS6KA2KMOCDK9
SCHEMBL16785561 0.79 FGFR4 (0.36) KMOTRPV1TRPV3
SCHEMBL17618402 0.78 WNT3A (0.35) EGFRF10TRPV1WNT3A
SCHEMBL16785536 0.78 RAF1 (0.36) KMOTRPV3
SCHEMBL18415694 0.77 RAF1 (0.38) MEN1KMT2ACNR1
SCHEMBL16775864 0.77 FGFR4 (0.44) RPS6KA3RPS6KA2KMOFAAHTRPV1
SCHEMBL16775866 0.76 FGFR4 (0.45) RPS6KA3KMOTRPV1WNT3A

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-20150152108-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2015-06-04 — — US disclosed
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 RPS6KA3 2368/4885RPS6KA2 2318/4885EGFR 3224/4885

“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