SCHEMBL4856398

SCHEMBL4856398

N#Cc1ccc(Cn2cc(Br)c3ccncc32)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 11/20 0.53
CYP11B2 P19099 11/20 0.53
CYP19A1 P11511 6/20 0.49
DYRK1A Q13627 2/20 0.47
NFATC1 O95644 1/20 0.47
GSK3B P49841 1/20 0.47
KCNH2 Q12809 1/20 0.46
KDM4C Q9H3R0 1/20 0.43
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4855278 0.87 CYP11B1 (0.42) CYP11B1CYP11B2CYP19A1DYRK1ANFATC1
SCHEMBL4857588 0.85 CYP19A1 (0.50) CYP11B1CYP11B2CYP19A1DYRK1ANFATC1
SCHEMBL4859078 0.83 DYRK1A (0.51) CYP11B1CYP11B2CYP19A1DYRK1ANFATC1
SCHEMBL4849658 0.82 DYRK1A (0.67) CYP11B1CYP11B2CYP19A1DYRK1ANFATC1
SCHEMBL4857531 0.82 DYRK1A (0.66) CYP11B1CYP11B2CYP19A1DYRK1ANFATC1
SCHEMBL29801631 0.82 DYRK1A (0.66) CYP11B1CYP11B2CYP19A1DYRK1ANFATC1
SCHEMBL4856202 0.80 TBXAS1 (0.50) CYP19A1DYRK1ANFATC1GSK3B
SCHEMBL20604603 0.79 CYP19A1 (0.46) CYP11B1CYP11B2CYP19A1LMNAHTT
SCHEMBL4859131 0.78 FNTA (0.46) DYRK1ANFATC1GSK3BALDH1A1
SCHEMBL20604642 0.78 HTT (0.49) CYP11B1CYP11B2CYP19A1LMNAHTT

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

“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.