SCHEMBL6246167

SCHEMBL6246167

O=C1Nc2ncccc2/C1=N/OCCF

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
CYP1A2 P05177 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MAPT P10636 3/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
MCL1 Q07820 1/20 0.36
APP P05067 2/20 0.36
SNCA P37840 2/20 0.36
TNKS2 Q9H2K2 8/20 0.36
CTRC Q99895 1/20 0.34
RAF1 P04049 1/20 0.34
NTRK1 P04629 1/20 0.34
IDO1 P14902 2/20 0.34
FLT3 P36888 1/20 0.34
MAPK8 P45983 1/20 0.32
MAPK9 P45984 1/20 0.32

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
SCHEMBL6246169 1.00 ALDH1A1 (0.43) ALDH1A1CYP1A2SMN1; SMN2MAPTNPC1
SCHEMBL21994233 0.73 CYP1A2 (0.51) ALDH1A1CYP1A2SMN1; SMN2MAPTNPC1
SCHEMBL6790885 0.73 SMN1; SMN2 (0.34) SMN1; SMN2MAPTIDO1
SCHEMBL6790888 0.73 SMN1; SMN2 (0.34) SMN1; SMN2MAPTIDO1
SCHEMBL7741266 0.72 CYP1A2 (0.44) ALDH1A1CYP1A2SMN1; SMN2MAPTNPC1
SCHEMBL20218242 0.67 CYP1A2 (0.59) ALDH1A1CYP1A2SMN1; SMN2MAPTNPC1
SCHEMBL22806019 0.67 CYP1A2 (0.59) ALDH1A1CYP1A2SMN1; SMN2MAPTNPC1
SCHEMBL29759335 0.67 CYP1A2 (0.59) ALDH1A1CYP1A2SMN1; SMN2MAPTNPC1
SCHEMBL2493976 0.67 CYP1A2 (0.59) ALDH1A1CYP1A2SMN1; SMN2MAPTNPC1
SCHEMBL9256879 0.65 MAPT (0.38) ALDH1A1CYP1A2SMN1; SMN2MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6919331-B2 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-07-19 US disclosed
EP-1461035-A4 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-04-06 EP disclosed
US-6844342-B2 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents BRISTOL-MYERS SQUIBB COMPANY (US) 2005-01-18 US disclosed
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
US-6774134-B2 FOR THERAPY OF RESPIRATORY SYNCYTIAL VIRUS INFECTION BRISTOL-MYERS SQUIBB COMPANY 2004-08-10 US disclosed
EP-1343499-A4 HETEROCYCLIC SUBSTITUTED 2-METHYL-BENZIMIDAZOLE ANTIVIRAL AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-05-06 EP disclosed
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents YU KUO-LONG (US) 2004-04-08 US disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
EP-1343499-A2 HETEROCYCLIC SUBSTITUTED 2-METHYL-BENZIMIDAZOLE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 EP disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 WO disclosed
WO-2002062290-A2 HETEROCYCLIC SUBSTITUTED 2-METHYL-BENZIMIDAZOLE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-08-15 WO 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 (3 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 ALDH1A1 2968/4885CYP1A2 1326/4885SMN1; SMN2 516/4885
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 2968/4885CYP1A2 1326/4885SMN1; SMN2 516/4885
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 ALDH1A1 3132/4885CYP1A2 1430/4885SMN1; SMN2 492/4885

“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.