SCHEMBL6790885

SCHEMBL6790885

O=C1Nc2cnccc2/C1=N/OCCF

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.34
GSK3B P49841 3/20 0.34
CDC7 O00311 2/20 0.34
ROCK2 O75116 2/20 0.34
MAP4K4 O95819 2/20 0.34
PRKACA P17612 2/20 0.34
CDK2 P24941 2/20 0.34
HIPK2 Q9H2X6 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
IRAK4 Q9NWZ3 2/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MKNK2 Q9HBH9 1/20 0.32
LRRK2 Q5S007 3/20 0.31
MAP3K7 O43318 1/20 0.31
TAB1 Q15750 1/20 0.31
AGTR1 P30556 1/20 0.31
KMT2A Q03164 1/20 0.31
IDO1 P14902 1/20 0.31
GSK3A P49840 1/20 0.30

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
SCHEMBL6790888 1.00 SMN1; SMN2 (0.34) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL6668458 0.80 USP8 (0.36) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL6668456 0.80 USP8 (0.36) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL6480637 0.79 SMN1; SMN2 (0.50) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL6480632 0.79 SMN1; SMN2 (0.50) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL6791208 0.76 HPGD (0.39) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL6791207 0.76 HPGD (0.39) SMN1; SMN2GSK3BCDC7ROCK2MAP4K4
SCHEMBL6246167 0.73 ALDH1A1 (0.43) SMN1; SMN2MAPTIDO1
SCHEMBL6669676 0.71 LRRK2 (0.38) GSK3BCDC7ROCK2MAP4K4PRKACA
SCHEMBL6669681 0.71 LRRK2 (0.38) GSK3BCDC7ROCK2MAP4K4PRKACA

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-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-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 SMN1; SMN2 516/4885GSK3B 1859/4885CDC7 2287/4885
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 SMN1; SMN2 516/4885GSK3B 1859/4885CDC7 2287/4885

“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.