SCHEMBL5579083

SCHEMBL5579083

CN(C)CCN1CCC(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 18)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.41
CCR5 P51681 4/20 0.40
UBE2M P61081 5/20 0.39
DCUN1D1 Q96GG9 5/20 0.39
KDR P35968 3/20 0.39
BRAF P15056 2/20 0.39
CARM1 Q86X55 2/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
OPRM1 P35372 1/20 0.38
LTA4H P09960 1/20 0.38
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
GCK P35557 1/20 0.37
AXL P30530 1/20 0.37
MERTK Q12866 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
SCHEMBL5579007 0.96 UBE2M (0.41) HTR2ACCR5UBE2MDCUN1D1KDR
SCHEMBL5579168 0.92 KDR (0.43) UBE2MDCUN1D1KDRBRAFABL1
SCHEMBL13861193 0.85 KDR (0.42) KDRBRAFABL1BCRAXL
SCHEMBL4339311 0.85 KDR (0.48) KDRBRAFABL1BCR
SCHEMBL4334120 0.84 KDR (0.42) HTR2ACCR5KDRBRAFABL1
SCHEMBL3552886 0.84 KDR (0.41) KDRBRAFABL1BCRAXL
SCHEMBL13861265 0.82 KDR (0.41) KDRBRAFABL1BCRAXL
SCHEMBL4326793 0.82 KDR (0.41) HTR2ACCR5KDRBRAFGCK
SCHEMBL5579154 0.81 GCK (0.48) KDRBRAFGCKAXL
SCHEMBL4329939 0.81 KDR (0.45) CCR5KDRBRAFLTA4HABL1

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 HTR2A 3623/4885CCR5 453/4885UBE2M 4671/4885

“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.