SCHEMBL4856796

SCHEMBL4856796

COc1cc2c(cc1O)Nc1cc(Cl)ccc1C(=O)N2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 15/20 0.60
AURKB Q96GD4 4/20 0.52
KDR P35968 2/20 0.52
AURKA O14965 1/20 0.52
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51
TUBA1C Q9BQE3 1/20 0.51
TUBB6 Q9BUF5 1/20 0.51
TUBB2B Q9BVA1 1/20 0.51
TUBB1 Q9H4B7 1/20 0.51
PIM1 P11309 3/20 0.50

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
SCHEMBL4858837 1.00 CHEK1 (0.60) CHEK1AURKBKDRAURKATUBB4A
SCHEMBL4854936 0.85 TUBB4A (0.52) CHEK1AURKBKDRAURKATUBB4A
SCHEMBL4855475 0.85 TUBB4A (0.52) CHEK1AURKBKDRAURKATUBB4A
SCHEMBL4865764 0.83 CHEK1 (0.62) CHEK1AURKBKDRAURKATUBB4A
SCHEMBL4849677 0.83 CHEK1 (0.60) CHEK1AURKBKDRAURKATUBB4A
SCHEMBL4849751 0.82 CHEK1 (0.62) CHEK1KDRTUBB4ATUBBTUBA3C
SCHEMBL4853777 0.81 TUBB4A (0.54) CHEK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4857859 0.81 TUBB4A (0.54) CHEK1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL4849525 0.80 CHEK1 (0.48) CHEK1AURKBKDRAURKATUBB4A
SCHEMBL4855846 0.80 CHEK1 (0.64) CHEK1AURKBKDRAURKATUBB4A

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 CHEK1 46/4885AURKB 196/4885KDR 952/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885AURKB 165/4885KDR 819/4885

“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.