SCHEMBL16776043

SCHEMBL16776043

COc1ncc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)CCCN3)c(OC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 4/20 0.41
▸ RPS6KA2 Q15349 2/20 0.36
▸ RPS6KA3 P51812 1/20 0.36
▸ FAAH O00519 2/20 0.35
▸ F2 P00734 1/20 0.35
▸ MTOR P42345 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ PLAU P00749 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ ACP1 P24666 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ KDR P35968 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
SCHEMBL16776135 0.90 KDM4E (0.36) FGFR4RPS6KA2FAAHMTORABL1
SCHEMBL16776087 0.82 EGFR (0.43) FGFR4RPS6KA2RPS6KA3FAAHF2
SCHEMBL16776112 0.81 FGFR4 (0.44) FGFR4RPS6KA2RPS6KA3FAAHNPC1
SCHEMBL16776093 0.81 FGFR4 (0.42) FGFR4RPS6KA2RPS6KA3FAAHF2
SCHEMBL16776012 0.80 FGFR4 (0.43) FGFR4RPS6KA2RPS6KA3F2ABL1
SCHEMBL16776092 0.78 FGFR4 (0.44) FGFR4RPS6KA2RPS6KA3KDR
SCHEMBL16775931 0.78 TRPV1 (0.47) FGFR4RPS6KA2RPS6KA3FAAHGAA
SCHEMBL16776080 0.78 FGFR4 (0.46) FGFR4RPS6KA2RPS6KA3FAAHNPC1
SCHEMBL16776073 0.78 FGFR4 (0.44) FGFR4RPS6KA2RPS6KA3FAAH
SCHEMBL16776095 0.77 FGFR4 (0.43) FGFR4RPS6KA2RPS6KA3FAAHMTOR

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 1754/4885RPS6KA2 2318/4885RPS6KA3 2368/4885

“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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