SCHEMBL2542294

SCHEMBL2542294

Nc1nc2cc(CO)ccc2n1Cc1cccc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RPS6KA5 O75582 1/20 0.41
▸ SLC22A12 Q96S37 1/20 0.41
▸ TNF P01375 2/20 0.41
▸ NOD2 Q9HC29 2/20 0.41
▸ NOD1 Q9Y239 2/20 0.41
▸ HTT P42858 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CXCL8 P10145 1/20 0.39
▸ SOS1 Q07889 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ADORA2A P29274 6/20 0.39
▸ ADORA1 P30542 6/20 0.39
▸ PIK3C2B O00750 1/20 0.38
▸ DAO P14920 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ ADORA2B P29275 1/20 0.37
▸ NUDT1 P36639 1/20 0.37
▸ BACE1 P56817 1/20 0.37

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
SCHEMBL2539136 0.91 SLC22A12 (0.43) SLC22A12TNFNOD2NOD1HTT
SCHEMBL8285557 0.82 ADORA2A (0.44) SLC22A12TNFNOD2NOD1ALDH1A1
SCHEMBL8283872 0.81 TNF (0.41) RPS6KA5TNFNOD2NOD1HTT
SCHEMBL8283840 0.81 TNF (0.40) SLC22A12TNFNOD2NOD1HTT
Hydrochloric Acid SCHEMBL2541975 0.79 TNF (0.43) SLC22A12TNFNOD2NOD1HTT
SCHEMBL8284619 0.77 NPC1 (0.54) HTTALDH1A1POLBKMT2APIK3C2B
SCHEMBL13773411 0.76 CDK1 (0.45) SLC22A12TNFNOD2NOD1ALDH1A1
SCHEMBL8283839 0.74 TNF (0.40) SLC22A12TNFNOD2NOD1HTT
SCHEMBL17584957 0.74 SLC22A12 (0.39) SLC22A12HTTALDH1A1HDAC6ADORA2A
SCHEMBL8285519 0.73 TRPC5 (0.54) ALDH1A1POLBKMT2APIK3C2B

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 9 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
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
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
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 RPS6KA5 2308/4885SLC22A12 2180/4885TNF 4859/4885

“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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