SCHEMBL4858020

SCHEMBL4858020

COc1cc(N)c(Nc2cc(Cl)ccc2C(=O)O)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 5/20 0.51
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
USP2 O75604 1/20 0.49
PABPC1 P11940 1/20 0.49
AKR1C3 P42330 4/20 0.48
AKR1C2 P52895 4/20 0.48
PKM P14618 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
ABL1 P00519 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KCNMA1 Q12791 1/20 0.43
GAA P10253 1/20 0.42
P2RY4 P51582 1/20 0.42
P2RY12 Q9H244 1/20 0.42
WDR5 P61964 1/20 0.42

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
SCHEMBL4853746 0.92 ABL1 (0.55) GRIK1MEN1KMT2AUSP2PABPC1
SCHEMBL4857393 0.86 GRIK1 (0.44) GRIK1MEN1KMT2AUSP2PABPC1
SCHEMBL4857145 0.84 GRIK1 (0.48) GRIK1MEN1KMT2AUSP2PABPC1
SCHEMBL4847961 0.80 ABL1 (0.55) MEN1KMT2AUSP2PABPC1ABL1
SCHEMBL11301337 0.79 GRIK1 (0.60) GRIK1MEN1KMT2AUSP2PABPC1
SCHEMBL4848735 0.79 AKR1C3 (0.64) GRIK1MEN1KMT2AUSP2PABPC1
SCHEMBL1290925 0.77 GRIK1 (0.54) GRIK1MEN1KMT2AUSP2PABPC1
SCHEMBL27649303 0.77 ABL1 (0.51) MEN1KMT2AUSP2PABPC1ABL1
SCHEMBL11603313 0.76 GRIK1 (0.62) GRIK1MEN1KMT2AUSP2PABPC1
SCHEMBL11113166 0.75 AKR1C3 (0.79) GRIK1MEN1KMT2AAKR1C3AKR1C2

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 9 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
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-7456169-B2 Heterocyclic kinase inhibitors ABBOTT LABORATORIES INC. (US) 2008-11-25 US 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-20070254867-A1 Heterocyclic Kinase Inhibitors ABBVIE INC. 2007-11-01 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 GRIK1 713/4885MEN1 1677/4885KMT2A 1398/4885
US-20070254867-A1 Heterocyclic Kinase Inhibitors MAP3K20, MAP3K19, MAP4K2 GRIK1 971/4885MEN1 2238/4885KMT2A 1376/4885

“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.