SCHEMBL4859804

SCHEMBL4859804

O=C1Nc2ccc(-n3ccnc3)cc2Nc2cc(Cl)ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.51
IDO1 P14902 1/20 0.50
NOTUM Q6P988 1/20 0.48
PDE3B Q13370 3/20 0.47
PDE3A Q14432 3/20 0.47
CRBN Q96SW2 2/20 0.47
TBXAS1 P24557 1/20 0.47
ADH5 P11766 4/20 0.45
CES1 P23141 2/20 0.43
IDH1 O75874 1/20 0.41
CDC7 O00311 2/20 0.40
ROCK2 O75116 2/20 0.40
MAP4K4 O95819 2/20 0.40
PRKACA P17612 2/20 0.40
CDK2 P24941 2/20 0.40
GSK3B P49841 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
TGM2 P21980 1/20 0.40
HIPK2 Q9H2X6 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
SCHEMBL4855761 0.76 CHEK1 (0.62) CHEK1ROCK2MAP4K4CDK2GSK3B
SCHEMBL4851463 0.75 CHEK1 (0.56) CHEK1CES1TGM2PPOX
SCHEMBL4857624 0.72 CHEK1 (0.60) CHEK1CES1CDK2GSK3BIRAK4
SCHEMBL4847594 0.72 CHEK1 (0.55) CHEK1CES1CDC7ROCK2MAP4K4
SCHEMBL4849523 0.71 CHEK1 (0.62) CHEK1CES1TGM2
SCHEMBL4856816 0.71 CHEK1 (0.81) CHEK1CES1CDC7ROCK2MAP4K4
SCHEMBL29485956 0.71 CHEK1 (0.81) CHEK1CES1CDC7ROCK2MAP4K4
SCHEMBL4857611 0.71 CHEK1 (0.65) CHEK1CES1CDC7ROCK2MAP4K4
SCHEMBL4853307 0.71 CHEK1 (0.65) CHEK1IDO1CES1TGM2PPOX
SCHEMBL4856162 0.71 CHEK1 (0.65) CHEK1IDO1CES1TGM2PPOX

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 CHEK1 38/4885IDO1 4167/4885NOTUM 2490/4885

“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.