SCHEMBL4854922

SCHEMBL4854922

O=C1Nc2cc(CCCO)ccc2Nc2cc(Cl)ccc21

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 0.56
CES1 P23141 2/20 0.48
MAOA P21397 2/20 0.42
MAOB P27338 2/20 0.42
TGM2 P21980 1/20 0.41
PPOX P50336 1/20 0.41
AURKA O14965 1/20 0.39
KDR P35968 1/20 0.39
AURKB Q96GD4 1/20 0.39

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
SCHEMBL4857329 1.00 CHEK1 (0.56) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4848111 0.92 CHEK1 (0.58) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4858965 0.88 CHEK1 (0.60) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4858414 0.82 CHEK1 (0.60) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4855296 0.82 CHEK1 (0.56) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4856183 0.82 CHEK1 (0.56) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4857592 0.81 CHEK1 (0.52) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4852239 0.81 CHEK1 (0.52) CHEK1CES1MAOAMAOBTGM2
SCHEMBL4851939 0.81 CHEK1 (0.55) CHEK1CES1TGM2
SCHEMBL4847594 0.81 CHEK1 (0.55) CHEK1CES1MAOAMAOBTGM2

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-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 CHEK1 46/4885CES1 1804/4885MAOA 2117/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CES1 2761/4885MAOA 1994/4885

“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.