Sugi Predict

Sugi Predict / Compounds / SCHEMBL6669676

SCHEMBL6669676

SCHEMBL6669676

O=C1Nc2cnccc2/C1=N/OC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 7/20 0.38
▸ IDO1 P14902 2/20 0.38
▸ GALR3 O60755 1/20 0.36
▸ CDC7 O00311 2/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ MAP4K4 O95819 2/20 0.35
▸ PRKACA P17612 2/20 0.35
▸ CDK2 P24941 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ HIPK2 Q9H2X6 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ IRAK4 Q9NWZ3 2/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ MAPT P10636 3/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ MAOA P21397 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
SCHEMBL6669681 1.00 LRRK2 (0.38) LRRK2IDO1GALR3CDC7ROCK2
SCHEMBL7745717 0.84 LRRK2 (0.54) LRRK2IDO1GALR3MAPTKMT2A
SCHEMBL6480632 0.76 SMN1; SMN2 (0.50) LRRK2IDO1CDC7ROCK2MAP4K4
SCHEMBL6480637 0.76 SMN1; SMN2 (0.50) LRRK2IDO1CDC7ROCK2MAP4K4
SCHEMBL7741266 0.75 CYP1A2 (0.44) LRRK2IDO1MAPTNPC1RAB9A
SCHEMBL6791207 0.72 HPGD (0.39) LRRK2IDO1CDC7ROCK2MAP4K4
SCHEMBL6791208 0.72 HPGD (0.39) LRRK2IDO1CDC7ROCK2MAP4K4
SCHEMBL6790885 0.71 SMN1; SMN2 (0.34) LRRK2IDO1CDC7ROCK2MAP4K4
SCHEMBL6790888 0.71 SMN1; SMN2 (0.34) LRRK2IDO1CDC7ROCK2MAP4K4
SCHEMBL6668458 0.70 USP8 (0.36) LRRK2IDO1CDC7ROCK2MAP4K4

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 7 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
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
EP-1343499-A2 HETEROCYCLIC SUBSTITUTED 2-METHYL-BENZIMIDAZOLE ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-09-17 — — EP 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 (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 LRRK2 2342/4885IDO1 1043/4885GALR3 4670/4885
US-20040067997-A1 Heterocyclic substituted 2-methyl-benzimidazole antiviral agents MAVS, ZC3HAV1, EIF2AK2 LRRK2 2342/4885IDO1 1043/4885GALR3 4670/4885

“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.