SCHEMBL8285693

SCHEMBL8285693

Cn1cnc2c(Cn3c(N)nc4cc(C=O)ccc43)cccc21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.40
▸ NOD2 Q9HC29 2/20 0.40
▸ NOD1 Q9Y239 2/20 0.40
▸ POLB P06746 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TLR8 Q9NR97 5/20 0.36
▸ PTGER4 P35408 2/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CXCR4 P61073 1/20 0.34
▸ CYP2A6 P11509 1/20 0.34
▸ CXCL8 P10145 1/20 0.34
▸ SOS1 Q07889 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ CSF1R P07333 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL8283878 0.92 TNF (0.40) TNFNOD2NOD1POLBHTT
SCHEMBL8283872 0.82 TNF (0.41) TNFNOD2NOD1POLBHTT
SCHEMBL8283840 0.82 TNF (0.40) TNFNOD2NOD1POLBHTT
SCHEMBL8283871 0.79 NPC1 (0.48) POLBHTTALDH1A1PTGER4KMT2A
SCHEMBL13773349 0.76 CDK1 (0.43) TNFNOD2NOD1HTTALDH1A1
SCHEMBL8283870 0.76 TNF (0.41) TNFNOD2NOD1POLBHTT
SCHEMBL8283839 0.73 TNF (0.40) TNFNOD2NOD1HTT
SCHEMBL12226879 0.73 PDE2A (0.41) ALDH1A1PTGER4KMT2A
SCHEMBL8284631 0.72 HTT (0.40) TNFNOD2NOD1POLBHTT
SCHEMBL8284643 0.71 HTT (0.39) TNFNOD2NOD1POLBHTT

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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