SCHEMBL6466255

SCHEMBL6466255

CCOC(=O)c1cc(-c2ccccn2)[nH]c1CC(NC(=O)OC(C)(C)C)C1CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GCK P35557 1/20 0.35
RAB9A P51151 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 2/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35
CYP3A4 P08684 2/20 0.34
SCN9A Q15858 2/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
MMP13 P45452 1/20 0.34
BACE1 P56817 1/20 0.34
BACE2 Q9Y5Z0 1/20 0.34
MAPT P10636 2/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 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
SCHEMBL4771823 0.85 GCGR (0.46) CASP1ACACBACACAMMP13
SCHEMBL4830885 0.82 GCGR (0.44) CASP1MMP13MAPTTDP1
SCHEMBL4767661 0.72 GCGR (0.46) KDM4ENPSR1POLB
SCHEMBL4767710 0.72 GCGR (0.49) CASP1MMP13
SCHEMBL4771352 0.71 ATM (0.46) CYP3A4
SCHEMBL4774859 0.70 GCGR (0.48) CASP1MMP13
Hydrochloric Acid SCHEMBL1156419 0.69 LMNA (0.46) KDM4ECASP1HSD17B10RAB9AMEN1
SCHEMBL8082012 0.68 ATM (0.56) MEN1KMT2ASCN9A
SCHEMBL5439588 0.67 ADORA3 (0.38) KDM4EMAPTNPSR1JMJD6
SCHEMBL5341992 0.67 JAK2 (0.47)

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-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors PHARMACIA ITALIA S.P.A. (IT) 2005-02-24 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-20050043346-A1 Pyridylpyrrole derivatives active as kinase inhibitors MAP3K6, MAP3K5, MAP4K2 KDM4E 803/4885CASP1 3128/4885HSD17B10 4050/4885

“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.