SCHEMBL8284638

SCHEMBL8284638

Nc1nc2ccc(C=O)cc2n1Cc1cccc(Br)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK1 P06493 1/20 0.37
▸ CDK4 P11802 1/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ TNF P01375 2/20 0.35
▸ NOD2 Q9HC29 2/20 0.35
▸ NOD1 Q9Y239 2/20 0.35
▸ CXCL8 P10145 1/20 0.35
▸ SOS1 Q07889 1/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 2/20 0.33
▸ TLR8 Q9NR97 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CXCR4 P61073 1/20 0.33
▸ CYP2A6 P11509 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ RAB9A P51151 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
SCHEMBL8284643 0.91 HTT (0.39) TNFNOD2NOD1CXCL8SOS1
SCHEMBL8286246 0.87 CYP2A6 (0.34) CYP2A6HDAC1VDRALDH1A1FAAH
SCHEMBL8284636 0.80 TNF (0.41) CDK1CDK4CDK2TNFNOD2
SCHEMBL8284631 0.74 HTT (0.40) CDK1CDK4CDK2TNFNOD2
SCHEMBL8285562 0.74 SOS1 (0.46) CDK1CDK4CDK2TNFNOD2
SCHEMBL8283839 0.74 TNF (0.40) CDK1CDK4CDK2TNFNOD2
SCHEMBL8284629 0.73 TLR8 (0.40) CDK1CDK4CDK2TNFNOD2
SCHEMBL8284400 0.73 TRPC5 (0.42) KMT2ANPC1GAAMAPTRAB9A
SCHEMBL8284642 0.72 HTT (0.42) TNFNOD2NOD1CXCL8SOS1
SCHEMBL989337 0.72 DYRK3 (0.43) HTTTLR8CYP1A2CYP2D6CXCR4

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 CDK1 219/4885CDK4 78/4885CDK2 23/4885

“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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