SCHEMBL1967035

SCHEMBL1967035

CCCc1nc2c(=O)[nH]c(=O)[nH]c2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.39
TLR8 Q9NR97 5/20 0.35
TLR7 Q9NYK1 2/20 0.35
GLA P06280 1/20 0.34
PDE3B Q13370 2/20 0.34
PDE3A Q14432 2/20 0.34
PDE5A O76074 2/20 0.34
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
PABPC1 P11940 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA2B P29275 1/20 0.33
CYP2C19 P33261 1/20 0.33
RAB9A P51151 1/20 0.33
BLM P54132 1/20 0.33
CASP7 P55210 1/20 0.33
PMP22 Q01453 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL1970672 0.86 RAB9A (0.36) TYMPTLR8TLR7GLAALDH1A1
SCHEMBL1195067 0.73 MAPK1 (0.39) TYMPGLAALDH1A1KDM4ECYP1A2
SCHEMBL31750592 0.71 BLM (0.43) TYMPALDH1A1KDM4ECYP1A2PABPC1
SCHEMBL16604784 0.69 BLM (0.35) ALDH1A1KDM4ECYP1A2PABPC1ADORA2A
SCHEMBL16604775 0.69 BLM (0.35) TLR8TLR7ALDH1A1KDM4ECYP1A2
SCHEMBL810861 0.68 TLR8 (0.37) TLR8TLR7PDE3BPDE3APDE5A
SCHEMBL7822136 0.67 BLM (0.47) TYMPGLAPDE3BPDE3APDE5A
SCHEMBL16604776 0.67 KDM4E (0.33) ALDH1A1KDM4ECYP1A2PABPC1ADORA2A
SCHEMBL11281218 0.66 TLR8 (0.51) TLR8TLR7GLAALDH1A1KDM4E
SCHEMBL16608999 0.66 BLM (0.35) ALDH1A1KDM4ECYP1A2PABPC1ADORA2A

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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
US-20110166121-A1 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2011-07-07 US disclosed
EP-2334689-A2 FUSED HETEROCYCLIC COMPOUND LG Life Sciences Ltd. (KR) 2011-06-22 EP disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 WO disclosed
WO-2010027236-A2 FUSED HETEROCYCLIC COMPOUND LG LIFE SCIENCES LTD. (KR) 2010-03-11 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 (1 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-20110166121-A1 FUSED HETEROCYCLIC COMPOUND F2, PF4, F11 TYMP 1943/4885TLR8 4815/4885TLR7 4777/4885

“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.