SCHEMBL5376798

SCHEMBL5376798

COc1cc(OC)c(NC(=O)Nc2cnccn2)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 4/20 1.00
MEN1 O00255 5/20 0.72
KMT2A Q03164 5/20 0.72
POLB P06746 3/20 0.72
KDM4E B2RXH2 8/20 0.67
CHRNA7 P36544 1/20 0.61
RAB9A P51151 3/20 0.58
MAPT P10636 2/20 0.58
IKBKB O14920 1/20 0.54
AURKA O14965 1/20 0.54
DCLK1 O15075 1/20 0.54
RPS6KA5 O75582 1/20 0.54
PRKD3 O94806 1/20 0.54
MAP4K4 O95819 1/20 0.54
RET P07949 1/20 0.54
PHKG2 P15735 1/20 0.54
CDK2 P24941 1/20 0.54
FLT4 P35916 1/20 0.54
MAPKAPK2 P49137 1/20 0.54
CLK2 P49760 1/20 0.54

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
SCHEMBL14517924 0.88 CHEK1 (0.78) CHEK1MEN1KMT2APOLBKDM4E
SCHEMBL14517936 0.87 CHEK1 (0.77) CHEK1MEN1KMT2APOLBKDM4E
SCHEMBL5372209 0.84 KMT2A (1.00) CHEK1MEN1KMT2APOLBKDM4E
SCHEMBL5386923 0.81 KDM4E (0.72) CHEK1MEN1KMT2APOLBKDM4E
SCHEMBL5377039 0.81 KDM4E (0.73) CHEK1MEN1KMT2APOLBKDM4E
SCHEMBL5373752 0.80 KDM4E (1.00) CHEK1MEN1KMT2APOLBKDM4E
SCHEMBL5377327 0.80 KDM4E (0.67) CHEK1MEN1KMT2APOLBKDM4E
SCHEMBL2031578 0.79 KDM4E (0.70) CHEK1MEN1KMT2APOLBKDM4E
SCHEMBL2035848 0.79 KDM4E (0.76) CHEK1MEN1KMT2APOLBKDM4E
SCHEMBL21067794 0.79 CHEK1 (1.00) CHEK1IKBKBAURKADCLK1RPS6KA5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202244-B2 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-7202244-B2 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-7202244-B2 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-04-10 US disclosed
US-20040014765-A1 Chk-1 inhibitors MILLENNIUM PHARMACEUTICALS, INC. 2004-01-22 US disclosed
WO-2003101444-A1 DIARYLUREA COMPOUNDS AND DERIVATIVES AS CHK-1 INHIBITORS FOR THE TREATMENT OF CANCER MILLENNIUM PHARMACEUTICALS, INC. (US) 2003-12-11 WO 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 (1 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-20040014765-A1 Chk-1 inhibitors CHKA, CHKB, CHEK1 CHEK1 3/4885MEN1 1973/4885KMT2A 1919/4885

“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.