SCHEMBL6532373

SCHEMBL6532373

CCN1CCC[C@H]1COc1ccc2cc(-c3n[nH]c4ccc(-c5cn(CC(C)(C)C)nn5)cc34)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 13/20 0.40
ROCK2 O75116 3/20 0.40
CDK2 P24941 3/20 0.40
MAP4K4 O95819 2/20 0.40
PIM1 P11309 2/20 0.40
HIPK2 Q9H2X6 2/20 0.40
IRAK4 Q9NWZ3 2/20 0.40
PRKACA P17612 2/20 0.40
GSK3B P49841 2/20 0.40
CLK4 Q9HAZ1 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
BACE1 P56817 1/20 0.36
GBA1 P04062 1/20 0.35
CHEK1 O14757 2/20 0.35
AURKA O14965 1/20 0.35
CHUK O15111 1/20 0.35
MAPK13 O15264 1/20 0.35
DAPK3 O43293 1/20 0.35
JAK2 O60674 1/20 0.35
CHEK2 O96017 1/20 0.35

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
SCHEMBL4083943 0.81 CHEK1 (0.38) MAP4K4GSK3BCLK4CHEK1JAK2
SCHEMBL4044569 0.81 CHEK1 (0.38) MAP4K4GSK3BCLK4CHEK1JAK2
SCHEMBL5819665 0.81 CHEK1 (0.38) MAP4K4GSK3BCLK4CHEK1JAK2
SCHEMBL4090271 0.78 TTK (0.41) MAPK1
SCHEMBL4090306 0.78 TTK (0.41) MAPK1
SCHEMBL13812032 0.78 MCHR1 (0.40) KDM4E
SCHEMBL4183563 0.77 JAK2 (0.41) JAK2
SCHEMBL4183566 0.77 JAK2 (0.41) JAK2
SCHEMBL4084700 0.76 CHEK1 (0.36) MAP4K4GSK3BCLK4CHEK1JAK2
SCHEMBL4084626 0.76 CHEK1 (0.36) MAP4K4GSK3BCLK4CHEK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050107386-A1 Methods of treating diseases and disorders by targeting multiple kinases NARLA RAMA KRISHNA (US) 2005-05-19 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-20050107386-A1 Methods of treating diseases and disorders by targeting multiple kinases MAP3K20, MAP3K2, MAP3K1 CDC7 322/4885ROCK2 274/4885CDK2 284/4885

“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.