SCHEMBL16776227

SCHEMBL16776227

COc1cnc(NC(=O)N2CCCNc3ccc(-c4ccnc(C)c4)nc32)cn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 4/20 0.37
▸ ABL1 P00519 1/20 0.36
▸ MAPK1 P28482 8/20 0.36
▸ WNT3A P56704 3/20 0.35
▸ RPS6KA2 Q15349 2/20 0.35
▸ SMO Q99835 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 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
SCHEMBL16775921 0.90 FGFR4 (0.37) FGFR4ABL1RPS6KA2SMOHTR2A
SCHEMBL16776229 0.89 CYP11B2 (0.37) FGFR4ABL1MAPK1WNT3ARPS6KA2
SCHEMBL16776016 0.86 WNT3A (0.40) ABL1MAPK1WNT3A
SCHEMBL19365738 0.85 FGFR4 (0.37) FGFR4ABL1WNT3ASMOHTR2A
SCHEMBL16776013 0.84 FGFR4 (0.44) FGFR4MAPK1WNT3ARPS6KA2
SCHEMBL16776211 0.80 RPS6KA3 (0.43) ABL1MAPK1WNT3ARPS6KA2
SCHEMBL16776226 0.80 HTR2C (0.45) ABL1HTR2AHTR2CHTR2B
SCHEMBL16776136 0.80 FAAH (0.41) FGFR4MAPK1RPS6KA2
SCHEMBL16776424 0.80 DYRK1A (0.40) ABL1MAPK1
SCHEMBL16776102 0.80 FGFR4 (0.48) FGFR4MAPK1RPS6KA2

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 FGFR4 1754/4885ABL1 4089/4885MAPK1 2404/4885

“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