SCHEMBL3498952

SCHEMBL3498952

CN(C)CCCNCc1ccc2c(c1)nc(N)n2CCCN(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TERT O14746 2/20 0.47
CCNA2 P20248 1/20 0.47
CDK2 P24941 1/20 0.47
TLR8 Q9NR97 5/20 0.45
BACE1 P56817 4/20 0.45
NUDT1 P36639 1/20 0.45
CXCR4 P61073 1/20 0.41
ADORA2A P29274 1/20 0.40
NOS1 P29475 1/20 0.39
ITK Q08881 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
SCHEMBL12598789 0.78 BACE1 (0.69) TLR8BACE1NUDT1CXCR4
SCHEMBL3498573 0.76 BRD4 (0.47) TLR8BACE1NUDT1ITK
SCHEMBL6273772 0.75 BACE1 (0.44) TLR8BACE1NUDT1ADORA2ANOS1
SCHEMBL3498905 0.75 CNR2 (0.52) TLR8BACE1NUDT1CXCR4
SCHEMBL1982004 0.74 CXCR4 (0.73) TLR8CXCR4
SCHEMBL3499154 0.74 TLR8 (0.50) TERTTLR8BACE1NUDT1CXCR4
SCHEMBL6273966 0.70 ITK (0.45) ADORA2AITK
SCHEMBL12598790 0.70 BACE1 (0.54) TLR8BACE1NUDT1CXCR4
SCHEMBL14447547 0.70 TLR8 (0.51) TLR8BACE1NUDT1CXCR4
SCHEMBL6276876 0.70 MEN1 (0.39) BACE1ITK

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 TERT 3536/4885CCNA2 217/4885CDK2 247/4885
US-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L TERT 3536/4885CCNA2 217/4885CDK2 247/4885
US-20050124638-A1 Benzimidazoles and analogs thereof as antivirals ZC3HAV1, NXF1, ZC3HAV1L TERT 3536/4885CCNA2 217/4885CDK2 247/4885

“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.