SCHEMBL10025543

SCHEMBL10025543

CN(C)CC1CNc2nc3ccc(OCCCN(C)Cc4ccc(CO)o4)cc3n2C1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 4/20 0.34
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MAPKAPK2 P49137 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
SCHEMBL10025541 0.86 ATM (0.39) TLR7PDE3BPDE3A
SCHEMBL10025466 0.85 FGFR1 (0.39) TLR7PDE3BPDE3AMAPKAPK2
SCHEMBL10059137 0.84 ACSS2 (0.39) PDE3BPDE3AMAPKAPK2
SCHEMBL10025540 0.84 PDE3B (0.33) TLR7PDE3BPDE3AMAPKAPK2
SCHEMBL10025542 0.83 MAPKAPK2 (0.36) TLR7PDE3BPDE3AMAPKAPK2
SCHEMBL10025535 0.83 KCNA5 (0.35) TLR7PDE3BPDE3A
SCHEMBL6743257 0.82 PPARG (0.32) TLR7PDE3BPDE3AMAPKAPK2
SCHEMBL10025544 0.82 MAPKAPK2 (0.38) TLR7PDE3BPDE3AMAPKAPK2
SCHEMBL10025539 0.82 PPARG (0.33) TLR7PDE3BPDE3A
SCHEMBL10025545 0.81 HTR6 (0.31) TLR7PDE3BPDE3A

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-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-7642265-B2 Benzimidazoles and analogs thereof as antivirals ISIS PHARMACEUTICALS, INC. (US) 2010-01-05 US 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-20100130513-A1 BENZIMIDAZOLES AND ANALOGS THEREOF AS ANTIVIRALS ZC3HAV1, NXF1, ZC3HAV1L TLR7 3231/4885PDE3B 2301/4885PDE3A 2534/4885

“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.