SCHEMBL6324607

SCHEMBL6324607

CCOC(=O)c1cnc(NCc2ccc(OC)cc2)cc1Nc1ccc(I)cc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 2/20 0.52
MAP2K2 P36507 1/20 0.52
GAA P10253 1/20 0.49
MAPT P10636 5/20 0.47
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
TDP1 Q9NUW8 1/20 0.47
VNN1 O95497 3/20 0.43
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
ASPH Q12797 1/20 0.43
RIOX2 Q8IUF8 1/20 0.43
KDM8 Q8N371 1/20 0.43
HDAC1 Q13547 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42

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
SCHEMBL6318631 0.83 MAP2K1 (0.56) MAP2K1MAP2K2KDM4EALDH1A1HPGD
SCHEMBL15059077 0.79 RAB9A (0.51) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL6317553 0.78 MAP2K1 (0.61) MAP2K1MAP2K2
SCHEMBL5622895 0.78 MAP2K1 (0.61) MAP2K1MAP2K2
SCHEMBL2294877 0.75 PDE4B (0.60) MAP2K1MAP2K2GAAMAPTSMN1; SMN2
SCHEMBL6505710 0.75 MAP2K1 (0.57) MAP2K1MAP2K2TP53
SCHEMBL15270392 0.73 GAA (0.56) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL31252847 0.73 GAA (0.56) GAAMAPTKDM4EALDH1A1LMNA
SCHEMBL3883164 0.72 IDO1 (0.47) MAP2K1MAP2K2GAAMAPTALDH1A1
SCHEMBL4847270 0.71 GAA (0.53) GAAMAPTKDM4EALDH1A1LMNA

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-20050049276-A1 Imidazopyridines and triazolopyridines WARNER-LAMBERT COMPANY, LLC 2005-03-03 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-20050049276-A1 Imidazopyridines and triazolopyridines QDPR, DPYD, CYP3A5 MAP2K1 2549/4885MAP2K2 2473/4885GAA 871/4885

“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.