SCHEMBL8283840

SCHEMBL8283840

Nc1nc2cc(C=O)ccc2n1Cc1cccc2cccnc12

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.40
▸ NOD1 Q9Y239 1/20 0.40
▸ DAO P14920 1/20 0.39
▸ ADORA2A P29274 7/20 0.38
▸ ADORA1 P30542 7/20 0.38
▸ PIK3C2B O00750 1/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.36
▸ ADORA2B P29275 1/20 0.36
▸ SLC22A12 Q96S37 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 1/20 0.36
▸ HTR5A P47898 2/20 0.35

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
SCHEMBL8283839 0.91 TNF (0.40) TNFNOD2NOD1DAOADORA2A
SCHEMBL8285693 0.82 TNF (0.40) TNFNOD2NOD1HTTALDH1A1
SCHEMBL8285557 0.81 ADORA2A (0.44) TNFNOD2NOD1ADORA2AADORA1
SCHEMBL2542294 0.81 RPS6KA5 (0.41) TNFNOD2NOD1DAOADORA2A
SCHEMBL8284619 0.77 NPC1 (0.54) PIK3C2BHTTALDH1A1POLB
SCHEMBL13773411 0.75 CDK1 (0.45) TNFNOD2NOD1DAOADORA2A
SCHEMBL2539136 0.74 SLC22A12 (0.43) TNFNOD2NOD1DAOADORA2A
SCHEMBL8284643 0.74 HTT (0.39) TNFNOD2NOD1HTTALDH1A1
Hydrochloric Acid SCHEMBL2541975 0.73 TNF (0.43) TNFNOD2NOD1DAOADORA2A
SCHEMBL8283878 0.73 TNF (0.40) TNFNOD2NOD1HTTPOLB

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-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 — — US disclosed
US-8044073-B2 Aminobenzimidazoles and benzimidazoles as inhibitors of respiratory syncytial virus replication TIBOTEC PHARMACEUTICALS (IE) 2011-10-25 — — US disclosed
EP-1697343-B1 AMINOBENZIMIDAZOLES AND BENZIMIDAZOLES AS INHIBITORS OF RESPIRATORY SYNCYTIAL VIRUS REPLICATION TIBOTEC PHARM LTD (IE) 2009-07-01 — — EP 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 TNF 4859/4885NOD2 2449/4885NOD1 924/4885

“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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