SCHEMBL4851858

SCHEMBL4851858

N#Cc1ccc(-n2cc(Br)c3ccncc32)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.56
DYRK1A Q13627 2/20 0.43
USP14 P54578 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA4 P43681 1/20 0.39
CHUK O15111 1/20 0.38
SCN9A Q15858 3/20 0.37
CYP11B2 P19099 2/20 0.36
GSK3B P49841 1/20 0.36
KCNH2 Q12809 1/20 0.36
ELANE P08246 1/20 0.36
TDO2 P48775 1/20 0.35
KDM1A O60341 1/20 0.35
PIK3CD O00329 1/20 0.35
CYP11B1 P15538 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL15374360 0.92 CYP19A1 (0.49) CYP19A1DYRK1AUSP14SCN9AKDM1A
SCHEMBL4856398 0.77 CYP11B1 (0.53) CYP19A1DYRK1ACYP11B2GSK3BKCNH2
SCHEMBL4855278 0.75 CYP11B1 (0.42) CYP19A1DYRK1ACHUKCYP11B2GSK3B
SCHEMBL4856202 0.73 TBXAS1 (0.50) CYP19A1DYRK1AGSK3B
SCHEMBL12069244 0.71 SCN9A (0.53) CYP19A1DYRK1AUSP14SCN9AKDM1A
SCHEMBL15977199 0.70 CYP19A1 (0.50) CYP19A1USP14CHRNB2CHRNA5CHRNA4
SCHEMBL4849426 0.69 CYP17A1 (0.38) DYRK1AGSK3BKCNH2ELANE
SCHEMBL4857588 0.68 CYP19A1 (0.50) CYP19A1DYRK1ACYP11B2GSK3BKCNH2
SCHEMBL4854778 0.68 DYRK1A (0.41) DYRK1AGSK3BKCNH2KDM4EALDH1A1
SCHEMBL2877666 0.66 DYRK1A (0.59) DYRK1AGSK3BKCNH2

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 1766/4885DYRK1A 1117/4885USP14 2184/4885

“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.