SCHEMBL8286244

SCHEMBL8286244

CCOC(=O)c1ccc2c(c1)nc(N)n2C1CCCc2nc(C)c(C)nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KB1 P23443 1/20 0.42
▸ SIRT2 Q8IXJ6 6/20 0.41
▸ SIRT1 Q96EB6 6/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ ALDH1A1 P00352 4/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ CYP19A1 P11511 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ SIRT3 Q9NTG7 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ KDM4E B2RXH2 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
SCHEMBL8286248 0.93 PDE2A (0.41) SIRT2SIRT1PDE2AALDH1A1MAPT
SCHEMBL8286245 0.81 PRKACA (0.45) RPS6KB1ALDH1A1MAPTCYP19A1KDM4E
SCHEMBL2030741 0.79 L3MBTL1 (0.57) RPS6KB1SIRT2SIRT1PDE2AALDH1A1
SCHEMBL8285691 0.79 ALDH1A1 (0.34) RPS6KB1ALDH1A1MAPTKDM4E
SCHEMBL2031010 0.76 RPS6KB1 (0.49) RPS6KB1SIRT2SIRT1PDE2AALDH1A1
SCHEMBL2031012 0.76 RPS6KB1 (0.49) RPS6KB1SIRT2SIRT1PDE2AALDH1A1
SCHEMBL22382488 0.75 RPS6KB1 (0.51) RPS6KB1SIRT2SIRT1PDE2AALDH1A1
SCHEMBL14800551 0.73 SIRT2 (0.47) RPS6KB1SIRT2SIRT1PDE2AALDH1A1
SCHEMBL8285554 0.73 ALDH1A3 (0.31) ALDH1A1
SCHEMBL17582784 0.72 RPS6KB1 (0.48) RPS6KB1PDE2AALDH1A1MAPTHPGD

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 — — US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 — — US disclosed
US-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication JANSSEN SCIENCES IRELAND UC (IE) 2007-05-03 — — US disclosed
WO-2005058869-A1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARMACEUTICALS LTD. (IE) 2005-06-30 — — 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 (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-20070099924-A1 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, H1-2, H1-4 RPS6KB1 1098/4885SIRT2 1767/4885SIRT1 2511/4885

“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.

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