SCHEMBL259545

SCHEMBL259545

CC(=O)Oc1ccc2nc(-c3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.59
TNKS2 Q9H2K2 4/20 0.59
PARP2 Q9UGN5 2/20 0.59
GUSB P08236 2/20 0.59
NLRP3 Q96P20 1/20 0.59
CHEK2 O96017 3/20 0.54
NPBWR1 P48145 5/20 0.52
HTT P42858 4/20 0.52
NPC1 O15118 3/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
MEN1 O00255 2/20 0.52
NFKB1 P19838 2/20 0.52
MAPK1 P28482 2/20 0.52
NFKB2 Q00653 2/20 0.52
KMT2A Q03164 2/20 0.52
RELA Q04206 2/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52

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
SCHEMBL259562 0.89 GUSB (0.64) TNKSTNKS2PARP2GUSBNLRP3
SCHEMBL259265 0.87 TUBB4A (0.49) TNKSTNKS2PARP2GUSBNLRP3
SCHEMBL259494 0.83 TUBB4A (0.48) TNKSTNKS2PARP2GUSBNLRP3
SCHEMBL259556 0.83 TUBB4A (0.58) TNKSTNKS2GUSBNPC1MAPT
SCHEMBL30665826 0.82 TNKS (0.75) TNKSTNKS2PARP2GUSBNLRP3
SCHEMBL259566 0.81 TNKS (0.66) TNKSTNKS2GUSBCHEK2NPC1
SCHEMBL259275 0.81 TUBB4A (0.58) TNKSTNKS2GUSBNPC1MAPT
SCHEMBL259520 0.80 TNKS (0.68) TNKSTNKS2PARP2GUSBNLRP3
SCHEMBL17254841 0.80 TNKS (0.64) TNKSTNKS2PARP2GUSBCHEK2
SCHEMBL259583 0.79 GUSB (0.64) TNKSTNKS2GUSBCHEK2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-8067586-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2011-11-29 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137584-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES HAYAKAWA MASAHIKO 2010-06-03 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-20070037805-A1 Fused heteroaryl derivatives HAYAKAWA MASAHIKO 2007-02-15 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US disclosed
US-7173029-B2 Fused heteroaryl derivatives ASTELLAS PHARMA INC. (JP) 2007-02-06 US 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 (3 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-20100137584-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885TNKS2 487/4885PARP2 1567/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885TNKS2 487/4885PARP2 1567/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885TNKS2 487/4885PARP2 1567/4885

“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.