SCHEMBL6480123

SCHEMBL6480123

Cn1c(=O)c2cccnc2n(C(CCCCF)c2nc3ccccc3[nH]2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
CYP2D6 P10635 1/20 0.39
NR2F2 P24468 1/20 0.39
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
FEN1 P39748 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
POLB P06746 1/20 0.34
PDGFRB P09619 1/20 0.34
KDR P35968 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT1 P17948 1/20 0.34
RXFP1 Q9HBX9 2/20 0.34
ADORA3 P0DMS8 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
SCHEMBL6783759 0.86 TNKS (0.38) CYP2C19CYP1A2CYP3A4CYP2C9SMN1; SMN2
SCHEMBL6480122 0.67 TSHR (0.41) CYP3A4HTTKDM4EGAAKDR
SCHEMBL6480797 0.66 ALDH1A1 (0.40) ALDH1A1KDM4EGAAPOLBUSP2
SCHEMBL6481697 0.66 ALDH1A1 (0.39) ALDH1A1KDM4EGAAPOLBUSP2
SCHEMBL6479983 0.64 ALDH1A1 (0.36) CYP2C19CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL6490203 0.63 ALDH1A1 (0.36) NPSR1ALDH1A1KDM4EGAAPOLB
SCHEMBL3824238 0.63 SLC6A2 (0.43) CYP1A2SMN1; SMN2NPSR1HTTALDH1A1
SCHEMBL299224 0.63 FEN1 (0.73) CYP2D6CYP1A2CYP2C9FEN1SMN1; SMN2
SCHEMBL22017688 0.61 FEN1 (0.65) FEN1ALDH1A1ADORA2B
SCHEMBL16704936 0.60 LTA4H (0.47) SMN1; SMN2GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6844342-B2 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-18 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents YU KUO-LONG (US) 2004-04-08 US disclosed
US-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2002-07-25 US 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 (2 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-20020099208-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 CYP2C19 678/4885CYP2D6 1122/4885NR2F2 3009/4885
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 CYP2C19 678/4885CYP2D6 1122/4885NR2F2 3009/4885

“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.