SCHEMBL4856202

SCHEMBL4856202

N#Cc1ccc(OCCn2cc(Br)c3ccncc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.42
NFATC1 O95644 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
NSD2 O96028 1/20 0.41
NSD3 Q9BZ95 1/20 0.41
LTA4H P09960 2/20 0.41
HRH3 Q9Y5N1 4/20 0.40
HRH1 P35367 2/20 0.40
HRH2 P25021 1/20 0.39
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP19A1 P11511 2/20 0.37
CACNA1B Q00975 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
SCHEMBL4856451 0.85 LTA4H (0.49) TBXAS1L3MBTL1NFATC1GSK3BDYRK1A
SCHEMBL4855278 0.83 CYP11B1 (0.42) NFATC1GSK3BDYRK1ACYP19A1
SCHEMBL4856398 0.80 CYP11B1 (0.53) NFATC1GSK3BDYRK1ACYP19A1
SCHEMBL4854988 0.79 CYP1A2 (0.46) NFATC1GSK3BDYRK1AMAPK1
SCHEMBL21917167 0.77 DYRK1A (0.67) NFATC1GSK3BDYRK1A
SCHEMBL32691572 0.77 DYRK1A (0.67) NFATC1GSK3BDYRK1A
SCHEMBL15374360 0.75 CYP19A1 (0.49) DYRK1APOLBCYP19A1
SCHEMBL4851778 0.75 DYRK1A (0.50) NFATC1GSK3BDYRK1AHRH2
SCHEMBL4849426 0.74 CYP17A1 (0.38) NFATC1GSK3BDYRK1A
SCHEMBL4851858 0.73 CYP19A1 (0.56) GSK3BDYRK1ACYP19A1

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 TBXAS1 518/4885L3MBTL1 3156/4885NFATC1 1618/4885

“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.