SCHEMBL810798

SCHEMBL810798

CCCc1nc2c(Cl)ccnc2s1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 7/20 0.38
TLR7 Q9NYK1 4/20 0.38
POLB P06746 1/20 0.33
SREBF2 Q12772 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ATM Q13315 1/20 0.32
HTT P42858 1/20 0.31
GRM5 P41594 1/20 0.31
GRM1 Q13255 1/20 0.31

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
SCHEMBL31389813 0.70 SMN1; SMN2 (0.53) POLBMAPTSMN1; SMN2KDM4ELMNA
SCHEMBL15920638 0.70 POLB (0.59) TLR8TLR7POLBMAPTSMN1; SMN2
SCHEMBL1970348 0.68 TLR8 (0.34) TLR8TLR7LMNA
SCHEMBL8972110 0.65 KDM4C (0.39) POLBMAPTPDE3BPDE3AKDM4E
SCHEMBL16593550 0.65 SELE (0.47) TLR8TLR7POLB
SCHEMBL9921227 0.64
SCHEMBL22926254 0.63 PDE4D (0.40) TLR8TLR7PDE3A
SCHEMBL17040409 0.63 NPC1 (0.43) TLR8TLR7SMN1; SMN2DRD2DRD4
SCHEMBL11331675 0.62 DRD2 (0.50) TLR8TLR7MAPTSMN1; SMN2TP53
SCHEMBL6630437 0.61 LMNA (0.56) MAPTSMN1; SMN2DRD2DRD4DRD3

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
EP-1971611-B1 ANTI-VIRAL COMPOUNDS ABBOTT LAB (US) 2012-10-10 EP disclosed
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 1100/4885POLB 442/4885

“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.