SCHEMBL3499154

SCHEMBL3499154

CN(C)CCCc1ccc2nc(N)n(CCCN(C)C)c2c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.50
CXCR4 P61073 1/20 0.46
NOS1 P29475 2/20 0.41
NOS3 P29474 1/20 0.41
NOS2 P35228 1/20 0.41
POLB P06746 1/20 0.40
TERT O14746 1/20 0.40
NUDT1 P36639 1/20 0.39
BACE1 P56817 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP2D6 P10635 1/20 0.38
RPS6KA5 O75582 1/20 0.38

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
SCHEMBL10025483 0.86 NOS1 (0.42) TLR8NOS1NOS3NOS2TERT
SCHEMBL12598790 0.83 BACE1 (0.54) TLR8CXCR4NUDT1BACE1
SCHEMBL3498283 0.81 TLR8 (0.49) TLR8CXCR4POLBKDM4E
SCHEMBL10025467 0.80 TLR8 (0.48) TLR8CXCR4KDM4EKMT2A
SCHEMBL30886384 0.80 TLR8 (0.48) TLR8CXCR4KDM4EKMT2A
SCHEMBL1982004 0.79 CXCR4 (0.73) TLR8CXCR4POLBKDM4EMEN1
SCHEMBL23102167 0.79 TLR8 (0.47) TLR8CXCR4NOS1NOS2KMT2A
SCHEMBL3499273 0.76 TLR7 (0.50) TLR8CXCR4KMT2A
SCHEMBL3503268 0.76 ACSS2 (0.47) TLR8CXCR4NUDT1BACE1KMT2A
SCHEMBL14447549 0.76 TLR8 (0.71) TLR8CXCR4POLBNUDT1BACE1

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 7 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-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-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-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 (2 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L TLR8 4042/4885CXCR4 262/4885NOS1 662/4885
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L TLR8 4042/4885CXCR4 262/4885NOS1 662/4885

“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.