SCHEMBL4848723

SCHEMBL4848723

Cc1ncccc1OCCc1ccc2c(c1)NC(=O)c1ccc(B3OC(C)(C)C(C)(C)O3)cc1N2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
MCL1 Q07820 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHEK1 O14757 17/20 0.38
CDK2 P24941 2/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
PDPK1 O15530 2/20 0.36
JAK2 O60674 2/20 0.36
MAPK8 P45983 2/20 0.36
AURKA O14965 1/20 0.36
RPS6KB1 P23443 1/20 0.36
PLK3 Q9H4B4 1/20 0.36
GSK3B P49841 2/20 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
SCHEMBL4859432 0.89 CHEK1 (0.39) NPC1ALDH1A1CYP1A2GAAMAPT
SCHEMBL4858753 0.78 CHEK1 (0.41) CHEK1
SCHEMBL4858809 0.77 CHEK1 (0.60) CHEK1CDK2IRAK4PDPK1MAPK8
SCHEMBL4857292 0.77 CHEK1 (0.60) CHEK1CDK2IRAK4PDPK1JAK2
SCHEMBL4850618 0.75 CHEK1 (0.67) MAPTCHEK1CDK2IRAK4PDPK1
SCHEMBL4856016 0.75 CHEK1 (0.49) CHEK1IRAK4GSK3BROCK2MARK3
SCHEMBL4855604 0.74 CHEK1 (0.46) CHEK1MARK3MARK2AURKB
SCHEMBL4849452 0.74 CHEK1 (0.63) CHEK1
SCHEMBL4857711 0.74 CHEK1 (0.62) CHEK1
SCHEMBL4856364 0.74 CHEK1 (0.65) NPC1ALDH1A1CYP1A2GAAMAPT

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 NPC1 3492/4885ALDH1A1 3257/4885CYP1A2 3589/4885

“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.