SCHEMBL4857588

SCHEMBL4857588

N#Cc1cccc(Cn2cc(Br)c3ccncc32)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.50
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
ROCK2 O75116 6/20 0.46
DYRK1A Q13627 2/20 0.45
KCNH2 Q12809 1/20 0.45
KDM4C Q9H3R0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ADRA1D P25100 1/20 0.41
CDK2 P24941 1/20 0.39
DYRK1B Q9Y463 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL4856398 0.85 CYP11B1 (0.53) CYP19A1CYP11B1CYP11B2DYRK1AKCNH2
SCHEMBL20604670 0.81 ALDH1A1 (0.48) CYP19A1CYP11B1CYP11B2L3MBTL1ADRA1D
SCHEMBL4857531 0.81 DYRK1A (0.66) CYP19A1CYP11B1CYP11B2DYRK1AKCNH2
SCHEMBL29801631 0.81 DYRK1A (0.66) CYP19A1CYP11B1CYP11B2DYRK1AKCNH2
SCHEMBL4849408 0.79 DYRK1A (0.53) CYP11B1DYRK1AKCNH2KDM4CADRA1D
SCHEMBL20604637 0.79 APP (0.52) CYP19A1CYP11B1CYP11B2ALDH1A1KDM4E
SCHEMBL4851322 0.79 LPO (0.47) ROCK2DYRK1AKCNH2KDM4CCDK2
SCHEMBL4859131 0.77 FNTA (0.46) DYRK1AALDH1A1NFATC1GSK3B
SCHEMBL4857751 0.76 ROCK2 (0.47) CYP19A1CYP11B1CYP11B2ROCK2DYRK1A
SCHEMBL4855278 0.76 CYP11B1 (0.42) CYP19A1CYP11B1CYP11B2DYRK1AKCNH2

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 CYP19A1 1766/4885CYP11B1 2685/4885CYP11B2 2636/4885

“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.