SCHEMBL8284636

SCHEMBL8284636

Nc1nc2ccc(CO)cc2n1Cc1cccc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 2/20 0.41
▸ NOD2 Q9HC29 2/20 0.41
▸ NOD1 Q9Y239 2/20 0.41
▸ SOS1 Q07889 2/20 0.41
▸ CXCL8 P10145 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CDK1 P06493 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ CDK2 P24941 1/20 0.38
▸ HTT P42858 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CSF1R P07333 8/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CXCR4 P61073 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34

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
SCHEMBL8284642 0.90 HTT (0.42) TNFNOD2NOD1SOS1CXCL8
SCHEMBL8284638 0.80 CDK1 (0.37) TNFNOD2NOD1SOS1CXCL8
SCHEMBL8286247 0.76 TLR8 (0.36) TLR8
SCHEMBL8285687 0.76 SOS1 (0.49) TNFNOD2NOD1SOS1CXCL8
SCHEMBL2539136 0.73 SLC22A12 (0.43) TNFNOD2NOD1SOS1CXCL8
SCHEMBL8284620 0.72 SOS1 (0.41) TNFNOD2NOD1SOS1CXCL8
SCHEMBL8284643 0.72 HTT (0.39) TNFNOD2NOD1SOS1CXCL8
SCHEMBL8283870 0.71 TNF (0.41) TNFNOD2NOD1SOS1CXCL8
SCHEMBL30377963 0.70 TLR8 (0.40) TNFNOD2NOD1SOS1CXCL8
SCHEMBL30581414 0.70 POLB (0.49) TNFNOD2NOD1SOS1CXCL8

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 5 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-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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