SCHEMBL3087022

SCHEMBL3087022

NC(=O)c1ccc(NC2CCCNC2)c2cc(-c3ccc(F)cc3)[nH]c12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 13/20 1.00
KCNH2 Q12809 5/20 1.00
BTK Q06187 4/20 0.49
HRH4 Q9H3N8 1/20 0.46
CDK2AP1 O14519 1/20 0.46
PLK4 O00444 1/20 0.46
DAPK3 O43293 1/20 0.46
PRKD3 O94806 1/20 0.46
MAP4K4 O95819 1/20 0.46
PAK4 O96013 1/20 0.46
ABL1 P00519 1/20 0.46
PRKCG P05129 1/20 0.46
FYN P06241 1/20 0.46
CSF1R P07333 1/20 0.46
LYN P07948 1/20 0.46
RET P07949 1/20 0.46
PDGFRB P09619 1/20 0.46
KIT P10721 1/20 0.46
SRC P12931 1/20 0.46
PDGFRA P16234 1/20 0.46

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
SCHEMBL3069684 1.00 CHEK1 (1.00) CHEK1KCNH2BTKHRH4CDK2AP1
SCHEMBL3086394 0.90 CHEK1 (1.00) CHEK1KCNH2CDK2AP1PLK4DAPK3
SCHEMBL3077284 0.90 CHEK1 (1.00) CHEK1KCNH2CDK2AP1PLK4DAPK3
SCHEMBL3079987 0.90 CHEK1 (1.00) CHEK1KCNH2BTKPLK4DAPK3
SCHEMBL3086268 0.90 CHEK1 (1.00) CHEK1KCNH2BTKPLK4DAPK3
SCHEMBL3082514 0.90 CHEK1 (1.00) CHEK1KCNH2BTKCDK2AP1PLK4
SCHEMBL3076131 0.90 CHEK1 (1.00) CHEK1KCNH2BTKCDK2AP1PLK4
SCHEMBL16337719 0.80 CHEK1 (0.67) CHEK1KCNH2BTKPLK4DAPK3
SCHEMBL16336266 0.73 CHEK1 (0.80) CHEK1KCNH2BTKPLK4DAPK3
SCHEMBL27798608 0.72 CHEK1 (0.69) CHEK1KCNH2BTKPLK4DAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 US claimed
EP-1869052-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS AstraZeneca AB (SE) 2007-12-26 EP claimed
WO-2006106326-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2006-10-12 WO claimed
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 (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-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS CHEK1, PDK1, CHEK2 CHEK1 1/4885KCNH2 3112/4885BTK 796/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 CHEK1 1/4885KCNH2 2899/4885BTK 6/4885

“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.