SCHEMBL16775921

SCHEMBL16775921

COc1cnc(NC(=O)N2CCCNc3ccc(-c4cccc(C)c4)nc32)cn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 8/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ SMO Q99835 1/20 0.36
▸ RPS6KA2 Q15349 3/20 0.36
▸ KMO O15229 1/20 0.35
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ ADORA3 P0DMS8 2/20 0.34
▸ ADORA2A P29274 2/20 0.34
▸ CNR1 P21554 1/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ GSK3A P49840 1/20 0.33
▸ GSK3B P49841 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
SCHEMBL16776227 0.90 FGFR4 (0.37) FGFR4SMORPS6KA2HTR2AHTR2C
SCHEMBL16776149 0.87 FGFR4 (0.48) FGFR4CA9RPS6KA2KMOADORA3
SCHEMBL16775855 0.86 CA9 (0.39) FGFR4CA9RPS6KA2KMOADORA3
SCHEMBL16775850 0.85 FGFR4 (0.44) FGFR4CA9RPS6KA2KMO
SCHEMBL16776022 0.83 RPS6KA2 (0.41) FGFR4CA9RPS6KA2KMOADORA3
SCHEMBL16776004 0.81 FGFR4 (0.42) FGFR4ADORA3ADORA2AGSK3AGSK3B
SCHEMBL16776136 0.80 FAAH (0.41) FGFR4RPS6KA2
SCHEMBL16776087 0.80 EGFR (0.43) FGFR4RPS6KA2ADORA3ADORA2A
SCHEMBL16776012 0.80 FGFR4 (0.43) FGFR4RPS6KA2ADORA3ADORA2AABL1
SCHEMBL16775917 0.80 GRM5 (0.40) FGFR4RPS6KA2KMOADORA3CNR1

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-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 1754/4885CA9 4248/4885SMO 3597/4885

“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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