SCHEMBL16776033

SCHEMBL16776033

CN(C)c1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)CCCCN3)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.42
▸ ABL1 P00519 2/20 0.40
▸ BCR P11274 2/20 0.40
▸ FAAH O00519 3/20 0.38
▸ CNR2 P34972 1/20 0.38
▸ CNR1 P21554 1/20 0.37
▸ DCTPP1 Q9H773 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ RPS6KA3 P51812 1/20 0.36
▸ RPS6KA2 Q15349 1/20 0.36
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ MAP4K1 Q92918 1/20 0.35
▸ NSD2 O96028 1/20 0.34
▸ TSHR P16473 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
SCHEMBL16776040 0.89 FGFR4 (0.41) FGFR4ABL1BCRCNR1FYN
SCHEMBL16776019 0.85 FGFR4 (0.42) FGFR4CNR2CNR1ADORA2A
SCHEMBL16776091 0.85 FGFR4 (0.41) FGFR4FAAHCNR2SIRT2RPS6KA3
SCHEMBL16776473 0.85 FGFR4 (0.42) FGFR4CNR2SIRT2ADORA2AMEN1
SCHEMBL16776012 0.84 FGFR4 (0.43) FGFR4ABL1BCRCNR2RPS6KA3
SCHEMBL16776060 0.84 FGFR4 (0.43) FGFR4FAAHCNR2CNR1SIRT2
SCHEMBL16776123 0.84 ABL1 (0.38) ABL1BCRFAAHCNR2DCTPP1
SCHEMBL16775864 0.84 FGFR4 (0.44) FGFR4FAAHCNR2SIRT2RPS6KA3
SCHEMBL16775825 0.84 CNR2 (0.53) FGFR4FAAHCNR2CNR1SIRT2
SCHEMBL16776175 0.84 FGFR4 (0.46) FGFR4ABL1BCRFAAHRPS6KA3

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 4089/4885BCR 3239/4885

“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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