SCHEMBL5579007

SCHEMBL5579007

CN(C)CCCN1CCC(N(C)C(=O)Nc2cc(Oc3ccc(N(Cc4ccccc4)C(=O)O)c(F)c3)ccn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 12/20 0.41
DCUN1D1 Q96GG9 12/20 0.41
CCR5 P51681 2/20 0.39
GCK P35557 1/20 0.38
BRAF P15056 2/20 0.38
KDR P35968 2/20 0.38
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
SLC6A5 Q9Y345 1/20 0.37
HTR2A P28223 1/20 0.37

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
SCHEMBL5579083 0.96 HTR2A (0.41) UBE2MDCUN1D1CCR5GCKBRAF
SCHEMBL5579168 0.91 KDR (0.43) UBE2MDCUN1D1GCKBRAFKDR
SCHEMBL13861265 0.85 KDR (0.41) BRAFKDRSLC6A5
SCHEMBL4326500 0.85 KDR (0.46) BRAFKDR
SCHEMBL2255005 0.83 KDR (0.37) CCR5GCKBRAFKDR
SCHEMBL3552886 0.82 KDR (0.41) BRAFKDR
SCHEMBL4330057 0.82 SLC6A5 (0.42) CCR5GCKBRAFKDRSLC6A5
SCHEMBL13861193 0.81 KDR (0.42) BRAFKDR
SCHEMBL2254995 0.81 KDR (0.55) CCR5BRAFKDR
SCHEMBL4339311 0.81 KDR (0.48) BRAFKDR

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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) EISAI R&D MANAGEMENT CO., LTD. (JP) 2007-11-22 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-20070270421-A1 Novel pyridine Derivative and Pyrimidine Derivative (1) HGF, MET, FLT1 UBE2M 4671/4885DCUN1D1 2514/4885CCR5 453/4885

“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.