SCHEMBL16776012

SCHEMBL16776012

COc1cccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)CCCN3)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 1/20 0.43
▸ ADORA1 P30542 3/20 0.42
▸ ADORA3 P0DMS8 2/20 0.42
▸ ADORA2B P29275 2/20 0.42
▸ ADORA2A P29274 2/20 0.42
▸ GSK3A P49840 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ DGAT2 Q96PD7 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ RPS6KA2 Q15349 2/20 0.39
▸ RPS6KA3 P51812 1/20 0.39
▸ NEK2 P51955 1/20 0.39

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
SCHEMBL16776093 0.90 FGFR4 (0.42) FGFR4ADORA1ADORA2AGSK3BKMT2A
SCHEMBL16775932 0.89 FGFR4 (0.41) FGFR4GSK3BRPS6KA2RPS6KA3
SCHEMBL16776004 0.88 FGFR4 (0.42) FGFR4ADORA1ADORA3ADORA2BADORA2A
SCHEMBL16775864 0.88 FGFR4 (0.44) FGFR4ADORA1ADORA2AMEN1KMT2A
SCHEMBL16775825 0.88 CNR2 (0.53) FGFR4KMT2ASMN1; SMN2TP53RPS6KA2
SCHEMBL16776065 0.87 FGFR4 (0.42) FGFR4ADORA3ADORA2AMEN1KMT2A
SCHEMBL16776087 0.86 EGFR (0.43) FGFR4ADORA3ADORA2ASMN1; SMN2MAPK1
SCHEMBL16776060 0.86 FGFR4 (0.43) FGFR4RPS6KA2RPS6KA3CNR2
SCHEMBL16776013 0.86 FGFR4 (0.44) FGFR4ADORA3ADORA2AMAPK1RPS6KA2
SCHEMBL16775892 0.85 FGFR4 (0.42) FGFR4MEN1KMT2ALMNARPS6KA2

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 1754/4885ADORA1 2328/4885ADORA3 2733/4885

“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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