SCHEMBL4852215

SCHEMBL4852215

Cc1cc2c(cc1Br)Nc1cc(Cl)ccc1C(=O)N2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.54
BCHE P06276 1/20 0.54
CHEK1 O14757 2/20 0.54
PPOX P50336 1/20 0.45
TGM2 P21980 2/20 0.41
CSNK1G1 Q9HCP0 1/20 0.40
TUBB4A P04350 1/20 0.40
TUBB P07437 1/20 0.40
TUBA3C P0DPH7 1/20 0.40
TUBA1B P68363 1/20 0.40
TUBA4A P68366 1/20 0.40
TUBB4B P68371 1/20 0.40
TUBB3 Q13509 1/20 0.40
TUBB2A Q13885 1/20 0.40
TUBB8 Q3ZCM7 1/20 0.40
TUBA3E Q6PEY2 1/20 0.40
TUBA1A Q71U36 1/20 0.40
TUBA1C Q9BQE3 1/20 0.40
TUBB6 Q9BUF5 1/20 0.40
TUBB2B Q9BVA1 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
SCHEMBL4855475 0.83 TUBB4A (0.52) CES1CHEK1PPOXTUBB4ATUBB
SCHEMBL4854936 0.83 TUBB4A (0.52) CES1CHEK1PPOXTUBB4ATUBB
SCHEMBL1291059 0.79 CHEK1 (0.65) CES1CHEK1PPOXTGM2CSNK1G1
SCHEMBL1291050 0.79 CHEK1 (0.65) CES1CHEK1PPOXTGM2CSNK1G1
SCHEMBL4856219 0.76 CHEK1 (0.47) CES1CHEK1PPOXTGM2TUBB4A
SCHEMBL29485956 0.76 CHEK1 (0.81) CES1CHEK1PPOXTGM2CSNK1G1
SCHEMBL4856816 0.76 CHEK1 (0.81) CES1CHEK1PPOXTGM2CSNK1G1
SCHEMBL4849423 0.74 CHEK1 (0.45) CES1CHEK1PPOXTGM2TUBB4A
SCHEMBL4849435 0.74 CHEK1 (0.45) CES1CHEK1PPOXTGM2TUBB4A
SCHEMBL4847864 0.74 CHEK1 (0.48) CES1CHEK1PPOXTGM2CSNK1G1

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 CES1 1804/4885BCHE 3750/4885CHEK1 46/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CES1 2761/4885BCHE 3146/4885CHEK1 38/4885

“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.