SCHEMBL810861

SCHEMBL810861

CCCc1nc2c(=O)cc[nH]c2s1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 8/20 0.37
TLR7 Q9NYK1 4/20 0.37
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PBRM1 Q86U86 1/20 0.34
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
ELANE P08246 1/20 0.32
PDE3B Q13370 2/20 0.32
PDE3A Q14432 2/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
PDE5A O76074 1/20 0.30

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
SCHEMBL1967035 0.68 TYMP (0.39) TLR8TLR7ADORA2AKDM4EALDH1A1
SCHEMBL11281218 0.61 TLR8 (0.51) TLR8TLR7PBRM1KDM4EALDH1A1
SCHEMBL14609406 0.60 POLB (0.53) ADORA2AADORA1KDM4EALDH1A1HPGD
SCHEMBL13161713 0.60 BACE1 (0.41) KDM4EHPGDELANETP53MAPT
SCHEMBL20551383 0.60 CCR8 (0.34) ADORA2AADORA1
SCHEMBL11330195 0.58 ALDH1A1 (0.42) TLR8TLR7KDM4EALDH1A1HPGD
SCHEMBL31434969 0.58 ADORA2A (0.40) ADORA2AADORA1KDM4EALDH1A1SMN1; SMN2
SCHEMBL6643057 0.57 KDM4C (0.52) KDM4EHPGD
SCHEMBL810798 0.57 TLR8 (0.38) TLR8TLR7KDM4EPDE3BPDE3A
SCHEMBL5110714 0.57 KDM4C (0.42) KDM4EALDH1A1HPGDPDE3BPDE3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2345652-A1 Antiviral compounds Abbott Laboratories (US) 2011-07-20 EP disclosed
US-7915411-B2 Anti-viral compounds ABBOTT LABORATORIES (US) 2011-03-29 US disclosed
EP-1971611-A1 ANTI-VIRAL COMPOUNDS Abbott Laboratories (US) 2008-09-24 EP disclosed
US-20070197558-A1 ANTI-VIRAL COMPOUNDS ABBVIE INC. 2007-08-23 US disclosed
WO-2007081517-A2 ANTI-VIRAL COMPOUNDS ABBOTT LABORATORIES (US) 2007-07-19 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-20070197558-A1 ANTI-VIRAL COMPOUNDS HAVCR2, MAVS, EIF2AK2 TLR8 1172/4885TLR7 1100/4885ADORA2A 3844/4885

“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.