SCHEMBL4850428

SCHEMBL4850428

O=C1Nc2ccccc2Nc2cc(-c3ccnc(F)c3)ccc21

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.71
ROCK2 O75116 4/20 0.71
MAP4K4 O95819 4/20 0.71
CDK2 P24941 4/20 0.71
GSK3B P49841 4/20 0.71
CLK4 Q9HAZ1 4/20 0.71
IRAK4 Q9NWZ3 4/20 0.71
MKNK2 Q9HBH9 2/20 0.71
PRKACA P17612 3/20 0.70
HIPK2 Q9H2X6 2/20 0.61
CHEK1 O14757 14/20 0.60
KDR P35968 1/20 0.55
PDGFRA P16234 1/20 0.47
FER P16591 1/20 0.47
LTK P29376 1/20 0.47
CDK8 P49336 1/20 0.47
ACVR1 Q04771 1/20 0.47
LRRK2 Q5S007 1/20 0.47
DYRK1B Q9Y463 1/20 0.47

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
SCHEMBL4852322 0.83 MAP4K4 (0.51) CDC7ROCK2MAP4K4CDK2GSK3B
SCHEMBL4858583 0.80 CHEK1 (0.49) CDC7ROCK2MAP4K4CDK2GSK3B
SCHEMBL4852451 0.80 ROCK2 (0.70) CDC7ROCK2MAP4K4CDK2GSK3B
SCHEMBL4859172 0.79 CHEK1 (0.50) CDC7ROCK2MAP4K4CDK2GSK3B
SCHEMBL4850248 0.77 CHEK1 (0.64) CDC7ROCK2MAP4K4CDK2GSK3B
SCHEMBL16712562 0.74 ACVR1 (0.62) CDC7ROCK2MAP4K4CDK2GSK3B
SCHEMBL4851403 0.73 ABL1 (0.54) ROCK2CDK2GSK3BIRAK4CHEK1
SCHEMBL4854179 0.69 CHEK1 (1.00) CDC7ROCK2MAP4K4CDK2GSK3B
SCHEMBL22068158 0.69 IDO1 (0.55) MAP4K4
SCHEMBL4858358 0.69 CHEK1 (0.74) CDC7ROCK2MAP4K4CDK2GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-B1 5,10-DIHYDRO-11H-DIBENZO[B,E][1,4]DIAZEPIN-11-ONE AS KINASE INHIBITORS ABBVIE INC (US) 2015-05-20 EP disclosed
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
US-20040254159-A1 Heterocyclic kinase inhibitors ABBOTT LABORATORIES 2004-12-16 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 (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-20040254159-A1 Heterocyclic kinase inhibitors MAP3K20, MAP3K19, MAP3K1 CDC7 49/4885ROCK2 486/4885MAP4K4 26/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CDC7 50/4885ROCK2 483/4885MAP4K4 35/4885

“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.