SCHEMBL4852987

SCHEMBL4852987

CC(=O)Oc1ccc(Cn2cc(I)c3ccncc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
DYRK1A Q13627 2/20 0.43
NFATC1 O95644 1/20 0.43
GSK3B P49841 1/20 0.43
KCNH2 Q12809 1/20 0.42
KDM4C Q9H3R0 1/20 0.39
CDK2 P24941 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
CHRM1 P11229 1/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 1/20 0.36
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
AHR P35869 1/20 0.35
THRB P10828 1/20 0.35

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
SCHEMBL4855609 0.80 DYRK1A (0.50) ALDH1A1DYRK1ANFATC1GSK3BKCNH2
SCHEMBL4853786 0.80 DYRK1A (0.50) SMN1; SMN2DYRK1ANFATC1GSK3BKCNH2
SCHEMBL4855658 0.79 DYRK1A (0.47) ALDH1A1DYRK1ANFATC1GSK3BKCNH2
SCHEMBL4852123 0.74 DYRK1A (0.53) ALDH1A1SMN1; SMN2DYRK1ANFATC1GSK3B
SCHEMBL21917359 0.72 TBXAS1 (0.43) ALDH1A1DYRK1ANFATC1GSK3BKCNH2
SCHEMBL21917173 0.71 DYRK1A (0.43) ALDH1A1DYRK1ANFATC1GSK3BKCNH2
SCHEMBL21917356 0.70 GRIN2B (0.41)
SCHEMBL21917170 0.70 TBXAS1 (0.46) DYRK1ANFATC1GSK3BKCNH2KDM4C
SCHEMBL21917362 0.69 DYRK1A (0.46) DYRK1ANFATC1GSK3BKCNH2KDM4C
SCHEMBL3389008 0.69 DYRK1A (0.46) DYRK1ANFATC1GSK3BKCNH2KDM4C

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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US disclosed
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 ALDH1A1 3257/4885SMN1; SMN2 3562/4885DYRK1A 1117/4885

“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.