SCHEMBL16776080

SCHEMBL16776080

Cn1ccc(-c2ccc3c(n2)N(C(=O)Nc2ccccn2)CCCN3)n1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 2/20 0.46
▸ RPS6KA3 P51812 2/20 0.39
▸ RPS6KA2 Q15349 2/20 0.39
▸ FAAH O00519 3/20 0.37
▸ ADORA3 P0DMS8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ PKM P14618 1/20 0.34
▸ GRM5 P41594 2/20 0.34
▸ JMJD6 Q6NYC1 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL16776092 0.85 FGFR4 (0.44) FGFR4RPS6KA3RPS6KA2
SCHEMBL16776083 0.81 FGFR4 (0.44) FGFR4RPS6KA3RPS6KA2FAAHTRPV1
SCHEMBL16776013 0.81 FGFR4 (0.44) FGFR4RPS6KA3RPS6KA2FAAHADORA3
SCHEMBL16776089 0.81 FGFR4 (0.46) FGFR4RPS6KA3RPS6KA2FAAHNPC1
SCHEMBL16776075 0.81 FGFR4 (0.46) FGFR4RPS6KA3RPS6KA2FAAHNPC1
SCHEMBL16776073 0.81 FGFR4 (0.44) FGFR4RPS6KA3RPS6KA2FAAHADORA3
SCHEMBL16776112 0.81 FGFR4 (0.44) FGFR4RPS6KA3RPS6KA2FAAHADORA3
SCHEMBL16776064 0.81 ATR (0.47) FGFR4RPS6KA3RPS6KA2FAAHADORA3
SCHEMBL16776087 0.80 EGFR (0.43) FGFR4RPS6KA3RPS6KA2FAAHADORA3
SCHEMBL16776078 0.80 ALDH1A1 (0.44) FGFR4RPS6KA3RPS6KA2FAAHADORA3

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 1754/4885RPS6KA3 2368/4885RPS6KA2 2318/4885

“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