SCHEMBL3076131

SCHEMBL3076131

NC(=O)c1ccc(NC2CCCNC2)c2cc(-c3cccc(F)c3)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 1.00
KCNH2 Q12809 7/20 1.00
CDK2AP1 O14519 1/20 0.48
MELK Q14680 3/20 0.47
AURKB Q96GD4 2/20 0.47
PLK4 O00444 1/20 0.47
GAK O14976 1/20 0.47
JAK2 O60674 1/20 0.47
ULK1 O75385 1/20 0.47
RPS6KA4 O75676 1/20 0.47
STK10 O94804 1/20 0.47
PRKD3 O94806 1/20 0.47
MAP4K4 O95819 1/20 0.47
PAK4 O96013 1/20 0.47
ABL1 P00519 1/20 0.47
EGFR P00533 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
FES P07332 1/20 0.47
YES1 P07947 1/20 0.47

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
SCHEMBL3082514 1.00 CHEK1 (1.00) CHEK1KCNH2CDK2AP1MELKAURKB
SCHEMBL3069684 0.90 CHEK1 (1.00) CHEK1KCNH2CDK2AP1PLK4PRKD3
SCHEMBL3087022 0.90 CHEK1 (1.00) CHEK1KCNH2CDK2AP1PLK4PRKD3
SCHEMBL3086268 0.90 CHEK1 (1.00) CHEK1KCNH2AURKBPLK4PRKD3
SCHEMBL3079987 0.90 CHEK1 (1.00) CHEK1KCNH2AURKBPLK4PRKD3
SCHEMBL3086394 0.84 CHEK1 (1.00) CHEK1KCNH2CDK2AP1PLK4PRKD3
SCHEMBL3077284 0.84 CHEK1 (1.00) CHEK1KCNH2CDK2AP1PLK4PRKD3
SCHEMBL16337046 0.72 CHEK1 (0.56) CHEK1KCNH2PLK4PRKD3MAP4K4
SCHEMBL3086513 0.71 CHEK1 (1.00) CHEK1KCNH2
SCHEMBL16337719 0.71 CHEK1 (0.67) CHEK1KCNH2PLK4PRKD3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2010-09-09 US disclosed
EP-2144630-A2 CHK1 INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES AstraZeneca AB (SE) 2010-01-20 EP disclosed
WO-2008132500-A2 CHKL INHIBITORS WITH B CELL DEPLETING ANTIBODIES FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES ASTRAZENECA AB (SE) 2008-11-06 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-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 CHEK1 1/4885KCNH2 2899/4885CDK2AP1 628/4885

“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.