SCHEMBL3088087

SCHEMBL3088087

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.50
KDM4A O75164 1/20 0.49
KDM5A P29375 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
KDM5B Q9UGL1 1/20 0.49
FBP1 P09467 8/20 0.46
CRHBP P24387 1/20 0.44
CRHR2 Q13324 1/20 0.44
KDM4E B2RXH2 2/20 0.43
MAPT P10636 1/20 0.42
PIM1 P11309 1/20 0.42
GFER P55789 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
DTYMK P23919 1/20 0.41
DNA2 P51530 1/20 0.41
CASP6 P55212 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
CDC7 O00311 1/20 0.41
CYP19A1 P11511 1/20 0.41
APEX1 P27695 1/20 0.41

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
SCHEMBL3064138 0.90 CDC7 (0.50) FBP1CDC7
SCHEMBL16336576 0.87 BTK (0.48) DHODHKDM4AKDM5AKDM4CKDM5B
SCHEMBL16382680 0.79 TSHR (0.45) FBP1TDP1DTYMKDNA2CASP6
SCHEMBL19009089 0.79 DTYMK (0.44) FBP1TDP1DTYMKDNA2CASP6
SCHEMBL5193454 0.73 CRHBP (0.59) CRHBPCRHR2MAPTTDP1DTYMK
SCHEMBL3009122 0.73 APEX1 (0.50) DHODHFBP1CRHBPCRHR2CASP6
SCHEMBL2778988 0.73 CTSB (0.59) KDM4EMAPTTDP1DTYMKDNA2
SCHEMBL29475630 0.73 CTSB (0.59) KDM4EMAPTTDP1DTYMKDNA2
SCHEMBL25326973 0.73 LMNA (0.53) FBP1CRHBPCRHR2KDM4EMAPT
SCHEMBL8809899 0.71 DHODH (0.62) DHODHKDM4AKDM5AKDM4CKDM5B

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 DHODH 1642/4885KDM4A 2374/4885KDM5A 2817/4885
US-20100226917-A1 METHODS FOR THE TREATMENT OF HEMATOLOGIC MALIGNANCIES CHEK1, CHEK2, MCL1 DHODH 1830/4885KDM4A 399/4885KDM5A 467/4885

“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.