SCHEMBL3499273

SCHEMBL3499273

CN(C)CCCN(C)CCCOc1ccc2nc(N)n(CCCN(C)C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.50
TLR8 Q9NR97 3/20 0.44
FGFR1 P11362 2/20 0.42
SRC P12931 2/20 0.42
CXCL8 P10145 1/20 0.42
NOD1 Q9Y239 1/20 0.42
KMT2A Q03164 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
CXCR4 P61073 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
PPARG P37231 1/20 0.39

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
SCHEMBL30886384 0.95 TLR8 (0.48) TLR7TLR8FGFR1SRCCXCL8
SCHEMBL10025467 0.95 TLR8 (0.48) TLR7TLR8FGFR1SRCCXCL8
SCHEMBL23102167 0.92 TLR8 (0.47) TLR7TLR8FGFR1SRCCXCL8
SCHEMBL3503268 0.89 ACSS2 (0.47) TLR8FGFR1SRCCXCL8NOD1
SCHEMBL10025566 0.85 TLR7 (0.40) TLR7TLR8FGFR1SRCCXCL8
SCHEMBL3498283 0.84 TLR8 (0.49) TLR8CXCR4
SCHEMBL3574672 0.84 HRH3 (0.52) TLR7HRH3
SCHEMBL3498559 0.82 NPC1 (0.45) FGFR1SRCKMT2AHRH3
SCHEMBL14447549 0.78 TLR8 (0.71) TLR7TLR8CXCR4
SCHEMBL12598790 0.77 BACE1 (0.54) TLR8CXCL8NOD1CXCR4

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-8207173-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2012-06-26 US disclosed
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2010-05-27 US disclosed
US-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US disclosed
US-20050165007-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2005-07-28 US disclosed
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. 2005-06-09 US disclosed
WO-2004050035-A2 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ISIS PHARMACEUTICALS, INC. (US) 2004-06-17 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 (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-20050165007-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L TLR7 3231/4885TLR8 4042/4885FGFR1 4269/4885
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L TLR7 3231/4885TLR8 4042/4885FGFR1 4269/4885
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L TLR7 3231/4885TLR8 4042/4885FGFR1 4269/4885

“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.