SCHEMBL6833606

SCHEMBL6833606

Brc1cncc(-c2ccc3cnccc3c2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 8/20 0.54
CYP11B2 P19099 8/20 0.54
PRKCZ Q05513 1/20 0.49
AKT1 P31749 6/20 0.47
PIM1 P11309 2/20 0.46
DYRK3 O43781 1/20 0.46
ROCK2 O75116 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
CDK1 P06493 1/20 0.46
ROS1 P08922 1/20 0.46
PRKACA P17612 1/20 0.46
RPS6KB1 P23443 1/20 0.46
CDK2 P24941 1/20 0.46
CLK2 P49760 1/20 0.46
GSK3B P49841 1/20 0.46
IRAK1 P51617 1/20 0.46
RPS6KA3 P51812 1/20 0.46
PRKX P51817 1/20 0.46
CDK5 Q00535 1/20 0.46

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
SCHEMBL29449786 0.84 CYP11B1 (0.59) CYP11B1CYP11B2PRKCZAKT1PIM1
SCHEMBL28933997 0.84 CYP11B1 (0.59) CYP11B1CYP11B2PRKCZAKT1PIM1
SCHEMBL15514747 0.78 PRKCZ (0.55) CYP11B1CYP11B2PRKCZAKT1PIM1
SCHEMBL444504 0.77 PRKCZ (0.63) CYP11B1CYP11B2PRKCZAKT1PIM1
SCHEMBL17691836 0.76 PRKCZ (0.56) CYP11B1CYP11B2PRKCZAKT1PIM1
SCHEMBL18891280 0.76 CYP11B1 (0.69) CYP11B1CYP11B2PRKCZAKT1CYP19A1
SCHEMBL29547785 0.75 CYP11B1 (0.56) CYP11B1CYP11B2PRKCZPIM1CDK5
SCHEMBL484716 0.75 CYP11B1 (0.56) CYP11B1CYP11B2PRKCZPIM1CDK5
SCHEMBL5115735 0.75 CYP2A6 (0.60) CYP11B1CYP11B2ROCK2ROCK1CYP17A1
SCHEMBL6355545 0.74 CYP11B2 (0.61) CYP11B1CYP11B2PRKCZAKT1CDK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6831175-B2 Such as N,N-dimethyl-N-(2-((5-((E)-2-pyridin-4-ylvinyl) pyridin-3-yl)oxy)ethyl)amine ABBOTT LABORATORIES 2004-12-14 US disclosed
EP-1463505-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER Abbott Laboratories (US) 2004-10-06 EP disclosed
US-20030199511-A1 Kinase inhibitors ABBVIE INC. 2003-10-23 US disclosed
US-20030187026-A1 Kinase inhibitors ABBOTT LABORATORIES 2003-10-02 US disclosed
WO-2003051366-A2 3-(PHENYL-ALKOXY)-5-(PHENYL)-PYRIDINE DERIVATIVES AND RELATED COMPOUNDS AS KINASE INHIBITORS FOR THE TREATMENT OF CANCER ABBOTT LABORATORIES (US) 2003-06-26 WO 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 (2 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-20030187026-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CYP11B1 1815/4885CYP11B2 2437/4885PRKCZ 160/4885
US-20030199511-A1 Kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CYP11B1 1815/4885CYP11B2 2437/4885PRKCZ 160/4885

“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.