SCHEMBL3064138

SCHEMBL3064138

NC(=O)c1ccc([N+](=O)[O-])c2cc(-c3ccccc3)[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.50
CHEK1 O14757 2/20 0.48
KCNH2 Q12809 1/20 0.48
BRD4 O60885 1/20 0.48
BTK Q06187 12/20 0.47
CCNA2 P20248 1/20 0.43
CDK2 P24941 1/20 0.43
CCNA1 P78396 1/20 0.43
PLK4 O00444 1/20 0.43
DAPK3 O43293 1/20 0.43
PRKD3 O94806 1/20 0.43
MAP4K4 O95819 1/20 0.43
PAK4 O96013 1/20 0.43
ABL1 P00519 1/20 0.43
PRKCG P05129 1/20 0.43
FYN P06241 1/20 0.43
CSF1R P07333 1/20 0.43
LYN P07948 1/20 0.43
RET P07949 1/20 0.43
PDGFRB P09619 1/20 0.43

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
SCHEMBL3088087 0.90 DHODH (0.50) CDC7FBP1
SCHEMBL16337211 0.86 BTK (0.61) CDC7BTKKITPKN2
SCHEMBL3077207 0.80 BRD4 (0.54) CDC7CHEK1KCNH2BRD4BTK
SCHEMBL16337074 0.79 BRD4 (0.52) CDC7CHEK1KCNH2BRD4BTK
SCHEMBL16382695 0.79 BTK (0.44) CDC7BTK
SCHEMBL16336576 0.77 BTK (0.48) CDC7BTK
SCHEMBL3708345 0.74 CYP19A1 (0.45) CDC7BRD4FBP1
SCHEMBL6815898 0.73 CTSB (0.58) KCNH2BRD4
SCHEMBL25326973 0.71 LMNA (0.53) FBP1
SCHEMBL6029606 0.69 DHODH (0.78) CDC7CHEK1BRD4BTKCCNA2

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 8 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
CN-101687036-A CHK1 inhibitors with b cell depleting antibodies for the treatment of hematologic malignancies ASTRAZENECA AB 2010-03-31 CN 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
US-20090275570-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2009-11-05 US 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
CN-101189243-A Substituted heterocycles and their use as CHK1, PDK1 and PAK inhibitors ASTRAZENECA AB (SE) 2008-05-28 CN disclosed
EP-1869052-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS AstraZeneca AB (SE) 2007-12-26 EP disclosed
WO-2006106326-A1 SUBSTITUTED HETEROCYCLES AND THEIR USE AS CHK1, PDK1 AND PAK INHIBITORS ASTRAZENECA AB (SE) 2006-10-12 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 CDC7 15/4885CHEK1 1/4885KCNH2 3112/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 CDC7 31/4885CHEK1 1/4885KCNH2 2899/4885

“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.