SCHEMBL6268946

SCHEMBL6268946

CC(C)CCn1c(Cn2nnc3cc(C(=N)N)ccc32)nc2cc(C(=N)N)ccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.44
ACHE P22303 2/20 0.44
CNR2 P34972 13/20 0.43
NAMPT P43490 1/20 0.43
CNR1 P21554 5/20 0.41
OPRM1 P35372 1/20 0.41
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL6279603 0.94 BCHE (0.43) BCHEACHECNR2CNR1OPRM1
SCHEMBL6500548 0.88 CNR2 (0.43) BCHEACHECNR2CNR1OPRM1
SCHEMBL6291548 0.85 CNR2 (0.38) BCHEACHECNR2NAMPTCNR1
SCHEMBL6264967 0.83 BCHE (0.46) BCHEACHECNR2CNR1OPRM1
SCHEMBL6498855 0.82 CNR2 (0.42) BCHEACHECNR2CNR1OPRM1
SCHEMBL6498880 0.80 CNR2 (0.37) BCHEACHECNR2CNR1OPRM1
SCHEMBL6244965 0.79 ALOX5AP (0.42) BCHEACHECNR2CNR1OPRM1
SCHEMBL6244150 0.78 BCHE (0.48) BCHEACHECNR2CNR1OPRM1
SCHEMBL5859138 0.76 TSHR (0.65) TSHRMAPK1
SCHEMBL6243676 0.75 BCHE (0.49) BCHEACHECNR2CNR1OPRM1

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 5 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
EP-1461035-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS Bristol-Myers Squibb Company (US) 2004-09-29 EP disclosed
US-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents BRISTOL-MYERS SQUIBB COMPANY 2003-11-06 US disclosed
WO-2003053344-A2 SUBSTITUTED 2-METHYL-BENZIMIDAZOLE RESPIRATORY SYNCYTIAL VIRUS ANTIVIRAL AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-03 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-20030207868-A1 Substituted 2-methyl-benzimidazole respiratory syncytial virus antiviral agents MAVS, ZC3HAV1, EIF2AK2 BCHE 3508/4885ACHE 4709/4885CNR2 4156/4885

“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.