SCHEMBL4857482

SCHEMBL4857482

O=C1Nc2cc(CCOc3ccccn3)ccc2Nc2cc(-c3cccc4cnccc34)ccc21

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.66
ROCK2 O75116 5/20 0.45
CDC7 O00311 4/20 0.45
MAP4K4 O95819 4/20 0.45
CDK2 P24941 4/20 0.45
GSK3B P49841 4/20 0.45
CLK4 Q9HAZ1 4/20 0.45
IRAK4 Q9NWZ3 4/20 0.45
PRKACA P17612 3/20 0.45
HIPK2 Q9H2X6 2/20 0.45
MKNK2 Q9HBH9 2/20 0.45
PDPK1 O15530 1/20 0.44
PRKX P51817 1/20 0.44
TNK2 Q07912 1/20 0.44
TNF P01375 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
KDR P35968 1/20 0.38

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
SCHEMBL4851795 0.87 CHEK1 (0.64) CHEK1ROCK2CDC7MAP4K4CDK2
SCHEMBL4848090 0.86 CHEK1 (0.63) CHEK1ROCK2CDC7MAP4K4CDK2
SCHEMBL4857380 0.86 CHEK1 (0.63) CHEK1ROCK2CDC7MAP4K4CDK2
SCHEMBL4856364 0.86 CHEK1 (0.65) CHEK1ROCK2CDC7MAP4K4CDK2
SCHEMBL4848940 0.85 CHEK1 (0.61) CHEK1ROCK2CDC7MAP4K4CDK2
SCHEMBL4854189 0.85 CHEK1 (0.61) CHEK1ROCK2CDC7MAP4K4CDK2
SCHEMBL4855156 0.84 CHEK1 (0.74) CHEK1ROCK2CDC7MAP4K4CDK2
SCHEMBL4856777 0.81 CHEK1 (0.63) CHEK1ROCK2CDC7MAP4K4CDK2
SCHEMBL4856938 0.81 CHEK1 (0.59) CHEK1ROCK2CDC7MAP4K4CDK2
SCHEMBL4856795 0.81 CHEK1 (0.75) CHEK1ROCK2CDK2GSK3BIRAK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 US claimed
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 CHEK1 38/4885ROCK2 483/4885CDC7 50/4885

“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.