SCHEMBL4849435

SCHEMBL4849435

Cc1cc2c(cc1C=CC(=O)O)Nc1cc(Cl)ccc1C(=O)N2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.45
CES1 P23141 1/20 0.43
TGM2 P21980 2/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
MDM2 Q00987 1/20 0.38
LRRK2 Q5S007 1/20 0.38
IDH1 O75874 1/20 0.38
PPOX P50336 1/20 0.37
ITGB2 P05107 1/20 0.37
ICAM1 P05362 1/20 0.37
ITGAL P20701 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGFR P43088 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGER2 P43116 1/20 0.37
PTGIR P43119 1/20 0.37
PTGDR Q13258 1/20 0.37
PLA2G1B P04054 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4849423 1.00 CHEK1 (0.45) CHEK1CES1TGM2IDO1TDO2
SCHEMBL4859143 0.75 TUBB4A (0.46) CHEK1CES1MDM2MAPTTUBB4A
SCHEMBL4859146 0.75 TUBB4A (0.46) CHEK1CES1MDM2MAPTTUBB4A
SCHEMBL4856689 0.74 TUBB4A (0.43) CHEK1MDM2MAPTTUBB4ATUBB
SCHEMBL4856697 0.74 TUBB4A (0.43) CHEK1MDM2MAPTTUBB4ATUBB
SCHEMBL4852215 0.74 CES1 (0.54) CHEK1CES1TGM2IDO1TDO2
SCHEMBL7815157 0.73 MAPT (0.49) MDM2ITGB2ICAM1ITGALTBXA2R
SCHEMBL11315447 0.73 ESR1 (0.50) MDM2ITGB2ICAM1ITGALTBXA2R
SCHEMBL7815164 0.73 MAPT (0.49) MDM2ITGB2ICAM1ITGALTBXA2R
SCHEMBL11315445 0.73 ESR1 (0.50) MDM2ITGB2ICAM1ITGALTBXA2R

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 46/4885CES1 1804/4885TGM2 2254/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 CHEK1 38/4885CES1 2761/4885TGM2 2170/4885

“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.