SCHEMBL259355

SCHEMBL259355

O=c1[nH]c(-c2ccc([N+](=O)[O-])cc2)nc2c1oc1ncccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 4/20 0.56
TNKS2 Q9H2K2 4/20 0.56
PARP1 P09874 3/20 0.56
GUSB P08236 3/20 0.54
PARP2 Q9UGN5 2/20 0.54
NLRP3 Q96P20 1/20 0.54
MAPT P10636 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MMP2 P08253 3/20 0.43
MMP9 P14780 3/20 0.43
MMP8 P22894 3/20 0.43
IDO1 P14902 2/20 0.41
HTT P42858 2/20 0.40
MMP13 P45452 2/20 0.40
NPC1 O15118 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40

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
SCHEMBL259276 0.88 GUSB (0.56) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL259214 0.85 TNKS (0.49) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL13318878 0.82 PIM1 (0.40) TNKSTNKS2PARP1PARP2NPC1
SCHEMBL259307 0.81 TNKS2 (0.56) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL259329 0.78 TNKS (0.42) TNKSTNKS2PARP1GUSBPARP2
SCHEMBL259271 0.76 PIM1 (0.44) TNKSTNKS2PARP2IDO1PIM1
SCHEMBL7883460 0.76 PIK3CA (0.44) MAPTMEN1KMT2AL3MBTL1HTT
SCHEMBL7878941 0.76 PIK3CA (0.49) MAPTMEN1KMT2AL3MBTL1HTT
SCHEMBL13318641 0.76 PIM3 (0.41) TNKSTNKS2PARP1PARP2L3MBTL1
SCHEMBL29643581 0.74 TNKS (0.54) TNKSTNKS2PARP1GUSBPARP2

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 9 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-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 487/4885PARP1 1165/4885
US-20070037805-A1 Fused heteroaryl derivatives PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885TNKS2 487/4885PARP1 1165/4885
US-20100137585-A1 FUSED HETEROARYL DERIVATIVES PIK3CD, PIK3R3, PIK3C2A TNKS 578/4885TNKS2 487/4885PARP1 1165/4885

“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.