SCHEMBL4296131

SCHEMBL4296131

CCOCc1nc2c(N(Cc3ccccc3)Cc3ccccc3)nc(Cl)c(C)c2n1NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.40
TLR7 Q9NYK1 8/20 0.35
TLR8 Q9NR97 4/20 0.35
CTSL P07711 2/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
P2RX7 Q99572 1/20 0.34
PDE5A O76074 1/20 0.33
NUDT1 P36639 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP2C9 P11712 1/20 0.32

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
SCHEMBL4301280 0.91 AKT1 (0.41) AKT1TLR7TLR8CTSLCTSB
SCHEMBL6098621 0.85 TLR7 (0.45) AKT1TLR7TLR8
SCHEMBL4304120 0.84 AKT1 (0.40) AKT1TLR7TLR8CTSLCTSB
SCHEMBL4298195 0.77 TLR8 (0.33) TLR7TLR8NPC1LMNATP53
SCHEMBL4299689 0.74 RAB9A (0.42) AKT1CTSLCTSBCTSSP2RX7
SCHEMBL4296135 0.74 MCL1 (0.35) AKT1HDAC3HDAC1HDAC2NCOR2
SCHEMBL6098457 0.74 TLR8 (0.42) TLR7TLR8PDE5ANUDT1LMNA
SCHEMBL4299371 0.71 GAA (0.47) AKT1CTSLCTSBCTSSP2RX7
SCHEMBL4793490 0.70 TLR7 (0.36) TLR7KMT2A
SCHEMBL8127071 0.69 CYP3A4 (0.42) TLR7LMNARAB9AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS COLEY PHARMACEUTICAL GROUP, INC. 2009-10-29 US disclosed
WO-2006026760-A2 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-09 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-20090270443-A1 1-AMINO IMIDAZO-CONTAINING COMPOUNDS AND METHODS IL2, IL4I1, IFNG AKT1 2644/4885TLR7 188/4885TLR8 208/4885

“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.