SCHEMBL10025544

SCHEMBL10025544

CN(C)CC1CNc2nc3ccc(OCCCN(C)Cc4nccs4)cc3n2C1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 1/20 0.38
PDE3B Q13370 5/20 0.33
PDE3A Q14432 5/20 0.33
TLR7 Q9NYK1 3/20 0.32
CYP3A4 P08684 1/20 0.31
HRH1 P35367 1/20 0.31
LTA4H P09960 1/20 0.30
PPARG P37231 1/20 0.30
P2RY12 Q9H244 3/20 0.30
ACHE P22303 1/20 0.30
MAOB P27338 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30
PDE2A O00408 2/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL10025542 0.88 MAPKAPK2 (0.36) MAPKAPK2PDE3BPDE3ATLR7CYP3A4
SCHEMBL10025466 0.86 FGFR1 (0.39) MAPKAPK2PDE3BPDE3ATLR7CYP3A4
SCHEMBL10025540 0.85 PDE3B (0.33) MAPKAPK2PDE3BPDE3ATLR7CYP3A4
SCHEMBL10025535 0.84 KCNA5 (0.35) PDE3BPDE3ATLR7CYP3A4HRH1
SCHEMBL6743257 0.84 PPARG (0.32) MAPKAPK2PDE3BPDE3ATLR7PPARG
SCHEMBL10025541 0.83 ATM (0.39) PDE3BPDE3ATLR7CYP3A4HRH1
SCHEMBL10025539 0.83 PPARG (0.33) PDE3BPDE3ATLR7PPARGP2RY12
SCHEMBL10025545 0.82 HTR6 (0.31) PDE3BPDE3ATLR7PPARGACHE
SCHEMBL10025543 0.82 TLR7 (0.34) MAPKAPK2PDE3BPDE3ATLR7
SCHEMBL10059137 0.81 ACSS2 (0.39) MAPKAPK2PDE3BPDE3AP2RY12PDE2A

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 MAPKAPK2 4379/4885PDE3B 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.