SCHEMBL4853786

SCHEMBL4853786

Cc1ccc(Cn2cc(I)c3ccncc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.50
NFATC1 O95644 2/20 0.50
GSK3B P49841 2/20 0.50
KCNH2 Q12809 2/20 0.49
CDK2 P24941 1/20 0.47
DYRK1B Q9Y463 1/20 0.47
KDM4C Q9H3R0 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
CYP19A1 P11511 1/20 0.42
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HTR6 P50406 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
CACNB4 O00305 1/20 0.38
CACNA1A O00555 1/20 0.38
CACNA1G O43497 1/20 0.38
CACNG3 O60359 1/20 0.38

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
SCHEMBL4857118 0.88 DYRK1A (0.57) DYRK1ANFATC1GSK3BKCNH2CDK2
SCHEMBL4855609 0.86 DYRK1A (0.50) DYRK1ANFATC1GSK3BKCNH2CDK2
SCHEMBL4852123 0.82 DYRK1A (0.53) DYRK1ANFATC1GSK3BKCNH2CDK2
SCHEMBL4852987 0.80 ALDH1A1 (0.45) DYRK1ANFATC1GSK3BKCNH2CDK2
SCHEMBL4855658 0.79 DYRK1A (0.47) DYRK1ANFATC1GSK3BKCNH2CDK2
SCHEMBL21917173 0.79 DYRK1A (0.43) DYRK1ANFATC1GSK3BKCNH2CDK2
SCHEMBL19780297 0.76 DYRK1A (0.42) DYRK1ANFATC1GSK3BKCNH2CDK2
SCHEMBL3389008 0.76 DYRK1A (0.46) DYRK1ANFATC1GSK3BKCNH2CDK2
SCHEMBL21917362 0.73 DYRK1A (0.46) DYRK1ANFATC1GSK3BKCNH2KDM4C
SCHEMBL253653 0.72 DYRK1A (0.67) DYRK1ANFATC1GSK3BKCNH2HASPIN

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 DYRK1A 1117/4885NFATC1 1618/4885GSK3B 465/4885

“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.